Exact Mass: 432.1518982

Exact Mass Matches: 432.1518982

Found 500 metabolites which its exact mass value is equals to given mass value 432.1518982, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Zizybeoside I

2-{[2-(benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C19H28O11 (432.16315380000003)


Zizybeoside I is found in fruits. Zizybeoside I is isolated from Zizyphus jujuba (Chinese date Isolated from Zizyphus jujuba (Chinese date). Zizybeoside I is found in fruits.

   

5,6,7,8,3,4,5-Heptamethoxyflavone

2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


   

Agecorynin C

2-(2,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 2, 4 and 5.

   

Medicocarpin

2-(hydroxymethyl)-6-({14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl}oxy)oxane-3,4,5-triol

C22H24O9 (432.14202539999997)


Isolated from roots of Medicago sativa (alfalfa) and Trifolium repens (white clover). Medicocarpin is found in many foods, some of which are alfalfa, herbs and spices, pulses, and tea. Medicocarpin is found in alfalfa. Medicocarpin is isolated from roots of Medicago sativa (alfalfa) and Trifolium repens (white clover). Medicarpin 3-O-glucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=52766-70-8 (retrieved 2024-08-20) (CAS RN: 52766-70-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

3-Methoxynobiletin

4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-

C22H24O9 (432.14202539999997)


3-Methoxynobiletin is a member of flavonoids and an ether. 3,3,4,5,6,7,8-Heptamethoxyflavone is a natural product found in Croton caudatus, Melicope triphylla, and other organisms with data available. See also: Tangerine peel (part of); Citrus aurantium fruit rind (part of). Isolated from Citrus subspecies peels. 3-Methoxynobiletin is found in sweet orange, sweet bay, and citrus. 3-Methoxynobiletin is found in citrus. 3-Methoxynobiletin is isolated from Citrus species peels. 3,5,6,7,8,3',4'-heptamethoxyflavone, a flavonoid in Citrus reticulata peels, exhibits anti-tumor-initiating effect and Anti-neuroinflammatory activity[1][2][3]. 3,5,6,7,8,3',4'-heptamethoxyflavone inhibits collagenase activity and increased type I procollagen content in HDFn cells[1]. 3,5,6,7,8,3',4'-heptamethoxyflavone induces brain-derived neurotrophic factor (BDNF) expression via cAMP/ERK/CREB signaling and reduces phosphodiesterase activity in C6 cells[4]. 3,5,6,7,8,3',4'-heptamethoxyflavone, a flavonoid in Citrus reticulata peels, exhibits anti-tumor-initiating effect and Anti-neuroinflammatory activity[1][2][3]. 3,5,6,7,8,3',4'-heptamethoxyflavone inhibits collagenase activity and increased type I procollagen content in HDFn cells[1]. 3,5,6,7,8,3',4'-heptamethoxyflavone induces brain-derived neurotrophic factor (BDNF) expression via cAMP/ERK/CREB signaling and reduces phosphodiesterase activity in C6 cells[4].

   

Licoagroside B

3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acid

C18H24O12 (432.1267704)


Licoagroside B is found in herbs and spices. Licoagroside B is isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroside B is found in tea and herbs and spices.

   

Armillaricin

3-Formyl-6,6,7b-trimethyl-1H,2H,4H,4ah,5H,6H,7H,7ah,7BH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoic acid

C24H29ClO5 (432.17034140000004)


Armillaricin is found in mushrooms. Armillaricin is a metabolite of Armillaria mellea (honey mushroom). Metabolite of Armillaria mellea (honey mushroom). Armillaricin is found in mushrooms.

   

Pinostrobin 5-glucoside

7-methoxy-2-phenyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


Pinostrobin 5-glucoside is found in fruits. Pinostrobin 5-glucoside is isolated from bark of morello cherry. Isolated from bark of morello cherry. Pinostrobin 5-glucoside is found in fruits.

   

Trichocarposide

{3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid

C22H24O9 (432.14202539999997)


Trichocarposide is a constituent of Populus balsamifera (balsam poplar)

   

Apiosylglucosyl 4-hydroxybenzoate

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 4-hydroxybenzoic acid

C18H24O12 (432.1267704)


Apiosylglucosyl 4-hydroxybenzoate is found in herbs and spices. Apiosylglucosyl 4-hydroxybenzoate occurs in sage.

   

4'-O-Methylglucoliquiritigenin

2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


4-O-Methylglucoliquiritigenin is found in herbs and spices. 4-O-Methylglucoliquiritigenin is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). 4-Methylliquiritigenin 7-glucoside is found in herbs and spices.

   

Benzyl gentiobioside

2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)methoxy]oxane-3,4,5-triol

C19H28O11 (432.16315380000003)


Benzyl gentiobioside is found in garden tomato. Benzyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum Solanaceae). Constituent of tomato cell cultures (Lycopersicon esculentum Solanaceae). Benzyl gentiobioside is found in garden tomato.

   

15beta-hydroxycyproterone acetate

(1S,2S,11R,12S,15R,16S)-15-acetyl-9-chloro-13-hydroxy-2,16-dimethyl-6-oxopentacyclo[9.7.0.0²,⁸.0³,⁵.0¹²,¹⁶]octadeca-7,9-dien-15-yl acetate

C24H29ClO5 (432.17034140000004)


15beta-hydroxycyproterone acetate is a metabolite of cyproterone. Cyproterone is a steroidal antiandrogen which was never marketed. An acylated derivative, cyproterone acetate, is widely used clinically used as an antiandrogen and progestin. While cyproterone is sometimes used as a synonym for cyproterone acetate, what is almost always being referred to is actually cyproterone acetate and not cyproterone. (Wikipedia)

   

Asperulosidic acid

7-(Acetyloxymethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

C18H24O12 (432.1267704)


   

Captopril disulfide

(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

C18H28N2O6S2 (432.1388708)


   

Ilepatril

9-{[2-(acetylsulphanyl)-1-hydroxy-3-methylbutylidene]amino}-8-oxo-7-azatricyclo[9.4.0.0,]pentadeca-1(15),11,13-triene-6-carboxylic acid

C22H28N2O5S (432.17188380000005)


   

O-Desmethyl Gefitinib

4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(morpholin-4-yl)propoxy]quinazolin-7-ol

C21H22ClFN4O3 (432.1364384)


   

5-(1,1-Dihydroxythiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-(1,1-dihydroxy-1lambda4,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C20H21FN4O4S (432.12674780000003)


   

N,N-Dimethyl-5-({2-Methyl-6-[(5-Methylpyrazin-2-Yl)carbamoyl]-1-Benzofuran-4-Yl}oxy)pyrimidine-2-Carboxamide

4-{[2-(dimethylcarbamoyl)pyrimidin-5-yl]oxy}-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboximidic acid

C22H20N6O4 (432.154596)


   

(-)-medicarpin-3-O-glucoside

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaen-5-yl]oxy}oxane-3,4,5-triol

C22H24O9 (432.14202539999997)


(-)-medicarpin-3-o-glucoside is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids (-)-medicarpin-3-o-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-medicarpin-3-o-glucoside can be found in a number of food items such as pine nut, cupua√ßu, olive, and almond, which makes (-)-medicarpin-3-o-glucoside a potential biomarker for the consumption of these food products. (-)-medicarpin-3-o-glucoside is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids (-)-medicarpin-3-o-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (-)-medicarpin-3-o-glucoside can be found in a number of food items such as pine nut, cupuaçu, olive, and almond, which makes (-)-medicarpin-3-o-glucoside a potential biomarker for the consumption of these food products.

   

ACon1_001484

(1S,4aS,5S,7aS)-7-(acetoxymethyl)-5-hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid

C18H24O12 (432.1267704)


Asperulosidic acid is a glycoside and an iridoid monoterpenoid. Asperulosidic acid is a natural product found in Spermacoce alata, Knoxia roxburghii, and other organisms with data available. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2].

   

Asperulosidic

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

C18H24O12 (432.1267704)


Asperulosidic acid is a glycoside and an iridoid monoterpenoid. Asperulosidic acid is a natural product found in Spermacoce alata, Knoxia roxburghii, and other organisms with data available. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2].

   

Asperulosidic acid

Asperulosidic acid

C18H24O12 (432.1267704)


Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2].

   

Osmanthuside H

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol

C19H28O11 (432.16315380000003)


   

3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside

3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside

C22H24O9 (432.14202539999997)


   

Artocommunol CA

(+) -6-Hydroxy-11-methoxy-3,3-dimethyl-8- (2-methyl-1-propenyl) -3H,7H,8H-bis [ 1 ] benzopyrano [ 4,3-b:6,5-e ] pyran-7-one

C26H24O6 (432.1572804)


   

2,3-Dihydro-ononin

7-Hydroxy-4-methoxyisoflavanone 7-O-glucoside

C22H24O9 (432.14202539999997)


   

Methyltetrapterol A

5,7,2-Trihydroxy-6-methyl-6,6-dimethyl-4,5-dihydropyrano[2,3:4,5]-3-methylbenzo[1,6:5,4]isoflavanone

C26H24O6 (432.1572804)


   

Strobopinin 7-galactoside

5,7-Dihydroxy-6-C-methylflavanone 7-O-galactoside

C22H24O9 (432.14202539999997)


   

6-O-Acetylscandoside

6-O-Acetylscandoside

C18H24O12 (432.1267704)


   
   
   

Isosakuranetin 7-O-rhamnoside

5,7-Dihydroxy-4-methoxyflavanone 7-O-rhamnoside

C22H24O9 (432.14202539999997)


   
   

Linderofruticoside B

Linderofruticoside B

C18H24O12 (432.1267704)


   
   

7-Hydroxy-3,4-methylenedioxyflavan 7-O-beta-D-glucopyranoside

7-Hydroxy-3,4-methylenedioxyflavan 7-O-beta-D-glucopyranoside

C22H24O9 (432.14202539999997)


   

3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-3,4-dihydro-lasiolaenin

3alpha,4alpha-Epoxy-9beta-hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-3,4-dihydro-lasiolaenin

C22H24O9 (432.14202539999997)


   

9-beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-ludartin

9-beta-Hydroxy-8beta-(5-acetoxy-tiglinoyloxy)-2-oxo-ludartin

C22H24O9 (432.14202539999997)


   
   
   

3,5,6,7,3,4,5-Heptamethoxyflavone

3,5,6,7-Tetramethoxy-2- (3,4,5-trimethoxyphenyl) -4H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


   

2,3,4,5,2,6-Hexamethoxy-3,4-methylenedioxychalcone

2,3,4,5,2,6-Hexamethoxy-3,4-methylenedioxychalcone

C22H24O9 (432.14202539999997)


   

Hibiscetin heptamethyl ether

3,3,4,5,5,7,8-Heptamethoxyflavone

C22H24O9 (432.14202539999997)


   
   

Benthamitin

3,5,6,7,2,4,5-Heptamethoxyflavone

C22H24O9 (432.14202539999997)


   

Medicarpin glucoside

[ [ (6aR) -6aalpha,11aalpha-Dihydro-9-methoxy-6H-benzofuro [ 3,2-c ] [ 1 ] benzopyran ] -3-yl ] beta-D-glucopyranoside

C22H24O9 (432.14202539999997)


   

Pinostrobin 5-O-glucoside

(2S) -2,3-Dihydro-7-methoxy-5- (beta-D-glucopyranosyloxy) -2alpha-phenyl-4H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


   
   
   
   

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol

C19H28O11 (432.16315380000003)


   
   

(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione

(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione

C23H25ClO6 (432.133958)


   

(+)-homonataloin|(-)-homonataloin|10-xi-D-Glucopyranosyl-2,8-dihydroxy-1-methoxy-6-methyl-anthron|10-xi-D-glucopyranosyl-2,8-dihydroxy-1-methoxy-6-methyl-anthrone|Homonataloin|Homonataloin B

(+)-homonataloin|(-)-homonataloin|10-xi-D-Glucopyranosyl-2,8-dihydroxy-1-methoxy-6-methyl-anthron|10-xi-D-glucopyranosyl-2,8-dihydroxy-1-methoxy-6-methyl-anthrone|Homonataloin|Homonataloin B

C22H24O9 (432.14202539999997)


   
   
   

2-O-Methylsekikaic acid

2-O-Methylsekikaic acid

C23H28O8 (432.1784088)


   

(7RS,7SR,8SR,8SR)-form---Podophyllic acid

(7RS,7SR,8SR,8SR)-form---Podophyllic acid

C22H24O9 (432.14202539999997)


   
   

Deangeloylgomisin B

Deangeloylgomisin B

C23H28O8 (432.1784088)


   

(+)-(7alpha,7alpha,8alpha, 8alpha)-3,4,4,5,5-pentamethoxy-7,9: 7,9-diepoxylignan-3-ol|(+)-(7S,7S,8R,8R)-3,4,4,5,5-pentamethoxy-7,9: 7,9-diepoxylignan-3-ol|2,3-dimethoxy-5-{(1S,3aR,4S,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl}phenol

(+)-(7alpha,7alpha,8alpha, 8alpha)-3,4,4,5,5-pentamethoxy-7,9: 7,9-diepoxylignan-3-ol|(+)-(7S,7S,8R,8R)-3,4,4,5,5-pentamethoxy-7,9: 7,9-diepoxylignan-3-ol|2,3-dimethoxy-5-{(1S,3aR,4S,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl}phenol

C23H28O8 (432.1784088)


   
   
   

2-Methoxy-4-methylphenyl O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

2-Methoxy-4-methylphenyl O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

C19H28O11 (432.16315380000003)


   

2-O-(E)-p-coumaroylsalicin|grandidentatin

2-O-(E)-p-coumaroylsalicin|grandidentatin

C22H24O9 (432.14202539999997)


   

1,10-desoxidoglaucolide E

1,10-desoxidoglaucolide E

C23H28O8 (432.1784088)


   
   

10-O-acetylmonotropein

10-O-acetylmonotropein

C18H24O12 (432.1267704)


   
   
   

3-hydroxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside B

3-hydroxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside B

C18H24O12 (432.1267704)


   

Dihydrosesartemin

Dihydrosesartemin

C23H28O8 (432.1784088)


   

Phenyl ethanol 4-O-??-D-xylopyranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

Phenyl ethanol 4-O-??-D-xylopyranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

C19H28O11 (432.16315380000003)


   

rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,3-dimethoxy-4,5-methylenedioxy-1,2,3,4,5,6-hexahydro-5-oxo-7.3,8.1-neolignan

rel-(7S,8R,1R,2R,3S,4S)-Delta8-4-acetoxy-2-hydroxy-3,3-dimethoxy-4,5-methylenedioxy-1,2,3,4,5,6-hexahydro-5-oxo-7.3,8.1-neolignan

C23H28O8 (432.1784088)


   
   
   
   
   

Hepta-Me ether-2,3,4,5,6,6,7-Heptahydroxyflavone

Hepta-Me ether-2,3,4,5,6,6,7-Heptahydroxyflavone

C22H24O9 (432.14202539999997)


   
   
   

tyrosol 1-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside

tyrosol 1-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside

C19H28O11 (432.16315380000003)


   
   
   
   

2-{4-[O-alpha-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]phenyl}ethanol

2-{4-[O-alpha-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]phenyl}ethanol

C19H28O11 (432.16315380000003)


   

Myo-inositol, hexaacetate

Myo-inositol, hexaacetate

C18H24O12 (432.1267704)


   

4-O-beta-D-glucopyranosyl-4-hydroxy-3-methoxychalcone

4-O-beta-D-glucopyranosyl-4-hydroxy-3-methoxychalcone

C22H24O9 (432.14202539999997)


   

6-Methyltetrapterol A

6-Methyltetrapterol A

C26H24O6 (432.1572804)


   
   
   

(-)-scorzotomentosin 4-O-beta-glucoside|4-[(3S)-3,4-dihydro-8-methoxy-1-oxo-1H-2-benzopyran-3-yl]phenyl beta-glucopyranoside

(-)-scorzotomentosin 4-O-beta-glucoside|4-[(3S)-3,4-dihydro-8-methoxy-1-oxo-1H-2-benzopyran-3-yl]phenyl beta-glucopyranoside

C22H24O9 (432.14202539999997)


   
   
   
   

naringenin-7-methylether-4-O-alpha-L-rhamnopyranoside

naringenin-7-methylether-4-O-alpha-L-rhamnopyranoside

C22H24O9 (432.14202539999997)


   

9beta-isobutyryloxyhelenalin-<4-hydroxymethacrylate>

9beta-isobutyryloxyhelenalin-<4-hydroxymethacrylate>

C23H28O8 (432.1784088)


   

5-<(isovaleryloxy)methyl>-5-<4-(isovaleryloxy)but-3-ynyl>-2,2-bithiophene|5-isovaleryloxymethylene-2-(4-isovaleryloxybut-3-inyl)-dithiophene|5-isovaleryloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene|Bis(3-methylbutanoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol

5-<(isovaleryloxy)methyl>-5-<4-(isovaleryloxy)but-3-ynyl>-2,2-bithiophene|5-isovaleryloxymethylene-2-(4-isovaleryloxybut-3-inyl)-dithiophene|5-isovaleryloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene|Bis(3-methylbutanoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol

C23H28O4S2 (432.1428928)


   
   

(2S)-2-<2(6methoxy)-naphthyl>propionyl beta-D-glucopyranoside

(2S)-2-<2(6methoxy)-naphthyl>propionyl beta-D-glucopyranoside

C22H24O9 (432.14202539999997)


   

Methylenebisdesaspidinol

Methylenebisdesaspidinol

C23H28O8 (432.1784088)


   
   

scorzoveratrozit|scorzoveratrozit 4-O-beta-glucoside

scorzoveratrozit|scorzoveratrozit 4-O-beta-glucoside

C22H24O9 (432.14202539999997)


   

2,3,4,6,7,8-Hexa-Me ether-2,3,4,5,6,7,8-Heptahydroxyflavone

2,3,4,6,7,8-Hexa-Me ether-2,3,4,5,6,7,8-Heptahydroxyflavone

C22H24O9 (432.14202539999997)


   

2,3-Diamino-2,3-dideoxyhexose-alditol-acetat

2,3-Diamino-2,3-dideoxyhexose-alditol-acetat

C18H28N2O10 (432.1743868)


   
   

2-(benzoyloxymethyl)phenyl (6-acetyl)-beta-beta-D-glucopyranoside|wenyujinoside

2-(benzoyloxymethyl)phenyl (6-acetyl)-beta-beta-D-glucopyranoside|wenyujinoside

C22H24O9 (432.14202539999997)


   
   

1H,3H-Furo[3,4-c]furan, phenol deriv.; 2,6-Dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenol

1H,3H-Furo[3,4-c]furan, phenol deriv.; 2,6-Dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenol

C23H28O8 (432.1784088)


   
   
   
   
   
   
   

3-methoxyphenol 1-O-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside

3-methoxyphenol 1-O-alpha-L-rhamnopyranosyl-(1?6)-O-beta-D-glucopyranoside

C19H28O11 (432.16315380000003)


   
   

8alpha-(5-hydroxysenecioyloxy)-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate

8alpha-(5-hydroxysenecioyloxy)-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate

C22H24O9 (432.14202539999997)


   
   
   

S-daphneolone-4-O-beta-D-glucoside

S-daphneolone-4-O-beta-D-glucoside

C23H28O8 (432.1784088)


   

(-)-hernolactone|(2R,3R)-3-(4-hydroxy-3,5-dimethoxybenzyl)-2-(3,4.5-trimethoxybenzyl)-gamma-butyrolactone

(-)-hernolactone|(2R,3R)-3-(4-hydroxy-3,5-dimethoxybenzyl)-2-(3,4.5-trimethoxybenzyl)-gamma-butyrolactone

C23H28O8 (432.1784088)


   

naringenin-7-O-glucoside|Pru|prunin

naringenin-7-O-glucoside|Pru|prunin

C22H24O9 (432.14202539999997)


   
   
   
   
   

Flavaspidic acid PB

Flavaspidic acid PB

C23H28O8 (432.1784088)


A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.

   

3,5,6,8,3,4,5-heptamethoxyflavone

3,5,6,8,3,4,5-heptamethoxyflavone

C22H24O9 (432.14202539999997)


   
   

3,6,7-Mangiferin-trimethylether

3,6,7-Mangiferin-trimethylether

C22H24O9 (432.14202539999997)


   

norcaesalpinin MD

norcaesalpinin MD

C23H28O8 (432.1784088)


   
   

9-beta-hydroxy-atripliciolide-8-O-(5-acethoxytiglate)|9beta-hydroxyatripliciolide-8-O-(5-acetoxysarracinate)|conoprasiolide-5-O-acetate

9-beta-hydroxy-atripliciolide-8-O-(5-acethoxytiglate)|9beta-hydroxyatripliciolide-8-O-(5-acetoxysarracinate)|conoprasiolide-5-O-acetate

C22H24O9 (432.14202539999997)


   
   

2-C-methyl-D-erythritol 1-O-beta-D-(6-O-4-methoxybenzoyl)glucopyranoside|2-C-methyl-D-erythritol 1-O-[6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside]|2-C-Methyl-D-erythritol 1-O-??-D-(6-O-4-methoxybenzoyl)glucopyranoside

2-C-methyl-D-erythritol 1-O-beta-D-(6-O-4-methoxybenzoyl)glucopyranoside|2-C-methyl-D-erythritol 1-O-[6-O-(4-methoxybenzoyl)-beta-D-glucopyranoside]|2-C-Methyl-D-erythritol 1-O-??-D-(6-O-4-methoxybenzoyl)glucopyranoside

C19H28O11 (432.16315380000003)


   

4-O-Methylnorhomosekikaic acid

4-O-Methylnorhomosekikaic acid

C23H28O8 (432.1784088)


   
   

5,5a,12,12a-Tetrahydro-7,14-dimethoxybenzo[1,2:4,5;4,5:45]difuro[2,3-b:2,3-b]diindole-7b,14b-diol,

5,5a,12,12a-Tetrahydro-7,14-dimethoxybenzo[1,2:4,5;4,5:45]difuro[2,3-b:2,3-b]diindole-7b,14b-diol,

C24H20N2O6 (432.13213)


   
   
   

(-)-4-methoxy-8-acetyl olivil

(-)-4-methoxy-8-acetyl olivil

C23H28O8 (432.1784088)


   

2-methyl-3-[(3,4,5-trimethoxyphenyl)(4-hydroxy-3,5-dimethoxyphenyl)methyl]butyrolactone

2-methyl-3-[(3,4,5-trimethoxyphenyl)(4-hydroxy-3,5-dimethoxyphenyl)methyl]butyrolactone

C23H28O8 (432.1784088)


   

rel-(7R,8S,7S,8S)-9-hydroxy-4,5-methylenedioxy-3,4,5,3-tetramethoxy-7,7-epoxylignan

rel-(7R,8S,7S,8S)-9-hydroxy-4,5-methylenedioxy-3,4,5,3-tetramethoxy-7,7-epoxylignan

C23H28O8 (432.1784088)


   

1-[3-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxy-5-methylphenyl]-1-butanone

1-[3-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxy-5-methylphenyl]-1-butanone

C23H28O8 (432.1784088)


   

3-[(3,4,5-Trimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxole-5-yl)methyl]tetrahydrofuran-2-ol

3-[(3,4,5-Trimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxole-5-yl)methyl]tetrahydrofuran-2-ol

C23H28O8 (432.1784088)


   

17,18-epoxy-8-O-acetyl-pumilin|17,18-epoxy-pumilin-8-O-acetate

17,18-epoxy-8-O-acetyl-pumilin|17,18-epoxy-pumilin-8-O-acetate

C22H24O9 (432.14202539999997)


   

1-[2,6-dihydroxy-4-methoxy-3-methyl-5-[[2,4,6-trihydroxy-3-methyl-5-(1-oxopropyl)-phenyl]methyl]phenyl]-1-butanone

1-[2,6-dihydroxy-4-methoxy-3-methyl-5-[[2,4,6-trihydroxy-3-methyl-5-(1-oxopropyl)-phenyl]methyl]phenyl]-1-butanone

C23H28O8 (432.1784088)


   

2,3,4,5,2,6-hexamethoxy-4,5-methylenedioxychalcone

2,3,4,5,2,6-hexamethoxy-4,5-methylenedioxychalcone

C22H24O9 (432.14202539999997)


   
   
   
   
   
   
   

NCI60_026742

4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)-

C22H24O9 (432.14202539999997)


2-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3, 4 and 5. It has a role as a plant metabolite. It is functionally related to a flavone. 5,6,7,8,3,4,5-Heptamethoxyflavone is a natural product found in Conoclinium coelestinum, Citrus medica, and other organisms with data available.

   

Conyzatin dimethyl ether

3,4,5,3,5,7,8-Heptamethoxyflavone; Hibiscetin heptamethyl ether

C22H24O9 (432.14202539999997)


Hibiscetin heptamethyl ether is a member of flavonoids and an ether. Hibiscetin heptamethyl ether is a natural product found in Murraya exotica and Murraya paniculata with data available.

   

5-MethoxyPinocembroside

(S)-5-Methoxy-2-phenyl-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one

C22H24O9 (432.14202539999997)


   

Captopril disulfide

captopril disulfide metabolite (putative)

C18H28N2O6S2 (432.1388708)


An organic disulfide in which the disulfide bond links two units of captopril. It is a secondary metabolite of captopril.

   

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

NCGC00180444-02!(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

C19H28O11 (432.16315380000003)


   

[5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate

NCGC00385574-01![5-acetyloxy-1,7-bis(3,4-dihydroxyphenyl)heptan-3-yl] acetate

C23H28O8 (432.1784088)


   

(10R)-2,8-dihydroxy-1-methoxy-6-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

NCGC00385660-01!(10R)-2,8-dihydroxy-1-methoxy-6-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

C22H24O9 (432.14202539999997)


   

3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

NCGC00385661-01!3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C22H24O9 (432.14202539999997)


   

Asperuloside acid

Asperulosidic acid

C18H24O12 (432.1267704)


Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2]. Asperulosidic Acid (ASPA), a bioactive iridoid glycoside, is extracted from the herbs of Hedyotis diffusa Willd. Asperulosidic Acid (ASPA) has anti-tumor, anti-oxidant, and anti-inflammatory activities[1]. ASPA is related to the inhibition of inflammatory cytokines (TNF-α, IL-6) and mediators via suppression of the NF-κB and mitogen-activated protein kinase (MAPK) signaling pathways[2].

   

C18H24O12_2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside

NCGC00384576-01_C18H24O12_2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside

C18H24O12 (432.1267704)


   

C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)

NCGC00180458-02_C18H24O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-

C18H24O12 (432.1267704)


   

C19H28O11_beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]

NCGC00385099-01_C19H28O11_beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-

C19H28O11 (432.16315380000003)


   

C23H20N4O5_(2S,4R,9aS)-1-Hydroxy-2,2-dimethyl-4-(4-oxo-3(4H)-quinazolinyl)-1,9a-dihydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-3,5(2H,4H)-dione

NCGC00381187-01_C23H20N4O5_(2S,4R,9aS)-1-Hydroxy-2,2-dimethyl-4-(4-oxo-3(4H)-quinazolinyl)-1,9a-dihydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-3,5(2H,4H)-dione

C23H20N4O5 (432.143363)


   

C19H28O11_Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

NCGC00384629-01_C19H28O11_Benzyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

C19H28O11 (432.16315380000003)


   

C22H24O9_(3aS,4S,5R,7aS,8aS,8cS)-5-Hydroxy-6,8a-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl (2E)-2-(acetoxymethyl)-2-butenoate

NCGC00168883-03_C22H24O9_(3aS,4S,5R,7aS,8aS,8cS)-5-Hydroxy-6,8a-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl (2E)-2-(acetoxymethyl)-2-butenoate

C22H24O9 (432.14202539999997)


   

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

C18H24O12 (432.1267704)


   

3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid

3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid

C18H24O12 (432.1267704)


   
   

Chaetoviridin A

Chaetoviridin A

C23H25ClO6 (432.133958)


An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. Isolated from Chaetomium globosum, it exhibits natifungal activity against plant pathogenic fungi. CONFIDENCE isolated standard

   

Licoagroside B (Not validated)

Licoagroside B (Not validated)

C18H24O12 (432.1267704)


Annotation level-3

   

Benzyl alcohol + Hex-Hex

Benzyl alcohol + Hex-Hex

C19H28O11 (432.16315380000003)


Annotation level-3

   

Ilepatril

Ilepatril

C22H28N2O5S (432.17188380000005)


CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4207; ORIGINAL_PRECURSOR_SCAN_NO 4205 C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4229; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4224; ORIGINAL_PRECURSOR_SCAN_NO 4221 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8771; ORIGINAL_PRECURSOR_SCAN_NO 8768 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8784; ORIGINAL_PRECURSOR_SCAN_NO 8782 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8787; ORIGINAL_PRECURSOR_SCAN_NO 8785 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8812; ORIGINAL_PRECURSOR_SCAN_NO 8809 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8809; ORIGINAL_PRECURSOR_SCAN_NO 8804 CONFIDENCE standard compound; INTERNAL_ID 1338; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8820; ORIGINAL_PRECURSOR_SCAN_NO 8818

   

Salvinorin A_major

Salvinorin A_major

C23H28O8 (432.1784088)


   

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol_major

(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol_major

C19H28O11 (432.16315380000003)


   
   

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid_major

(1S,4aS,5S,7aS)-7-(acetyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid_major

C18H24O12 (432.1267704)


   

Ala Asp Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Ala Asp Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Ala Asp Pro Met

(3S)-3-[(2S)-2-aminopropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Ala Met Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Ala Met Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H28N4O7S (432.1678618)


   

Ala Asn Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Ala Asn Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Ala Pro Asp Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C17H28N4O7S (432.1678618)


   

Ala Pro Met Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Cys Asp Pro Val

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Cys Asp Val Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Cys His Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

Cys Pro Asp Val

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]-3-methylbutanoic acid

C17H28N4O7S (432.1678618)


   

Cys Pro Val Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Cys Ser His Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

Cys Ser Ser His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C15H24N6O7S (432.1427114)


   

Cys Val Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Cys Val Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H28N4O7S (432.1678618)


   

Asp Ala Met Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Asp Ala Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asp Ala Pro Met

(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Asp Cys Pro Val

(3S)-3-amino-3-{[(2R)-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Asp Cys Val Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Asp Asp Pro Ser

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-4-[(2S)-2-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C16H24N4O10 (432.14923639999995)


   

Asp Asp Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C16H24N4O10 (432.14923639999995)


   

Asp Gly Asn Gln

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Asp Gly Gln Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asp Met Ala Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Asp Met Pro Ala

(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Asp Asn Ala Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]propanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asp Asn Gly Gln

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Asp Asn Asn Ala

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asp Asn Gln Gly

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-3-carbamoyl-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asp Pro Ala Met

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanoic acid

C17H28N4O7S (432.1678618)


   

Asp Pro Cys Val

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-methylbutanoic acid

C17H28N4O7S (432.1678618)


   

Asp Pro Asp Ser

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C16H24N4O10 (432.14923639999995)


   

Asp Pro Met Ala

(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Asp Pro Ser Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Asp Pro Val Cys

(3S)-3-amino-4-[(2S)-2-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Asp Gln Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carbamoylbutanamido]acetamido}-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asp Gln Asn Gly

(3S)-3-amino-3-{[(1S)-3-carbamoyl-1-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}propyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asp Ser Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C16H24N4O10 (432.14923639999995)


   

Asp Ser Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Asp Val Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Asp Val Pro Cys

(3S)-3-amino-3-{[(2S)-1-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Glu Gly Met Pro

(2S)-1-[(2S)-2-{2-[(2S)-2-amino-4-carboxybutanamido]acetamido}-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Glu Gly Asn Asn

(4S)-4-amino-4-[({[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]butanoic acid

C15H24N6O9 (432.1604694)


   

Glu Gly Pro Met

(4S)-4-amino-4-({2-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)butanoic acid

C17H28N4O7S (432.1678618)


   

Glu Met Gly Pro

(2S)-1-{2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]acetyl}pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Glu Met Pro Gly

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}butanoic acid

C17H28N4O7S (432.1678618)


   

Glu Asn Gly Asn

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-[({[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Glu Asn Asn Gly

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Glu Pro Gly Met

(4S)-4-amino-5-[(2S)-2-[({[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

C17H28N4O7S (432.1678618)


   

Glu Pro Met Gly

(4S)-4-amino-5-[(2S)-2-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H28N4O7S (432.1678618)


   

Gly Asp Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Gly Asp Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Gly Glu Met Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Gly Glu Asn Asn

(4S)-4-(2-aminoacetamido)-4-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Gly Glu Pro Met

(4S)-4-(2-aminoacetamido)-5-[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C17H28N4O7S (432.1678618)


   

Gly Gly His Tyr

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly Gly Asn Trp

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly Gly Trp Asn

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C19H24N6O6 (432.1757244)


   

Gly Gly Tyr His

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly His Gly Tyr

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly His Tyr Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Gly Met Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Gly Met Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C17H28N4O7S (432.1678618)


   

Gly Asn Asp Gln

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-carboxypropanamido]-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Gly Asn Glu Asn

(4S)-4-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Gly Asn Gly Trp

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly Asn Asn Glu

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-carbamoylpropanamido]pentanedioic acid

C15H24N6O9 (432.1604694)


   

Gly Asn Gln Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-4-carbamoylbutanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Gly Asn Trp Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Gly Pro Glu Met

(4S)-4-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C17H28N4O7S (432.1678618)


   

Gly Pro Met Glu

(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]pentanedioic acid

C17H28N4O7S (432.1678618)


   

Gly Gln Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Gly Gln Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanamido]-3-carbamoylpropanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Gly Trp Gly Asn

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanoic acid

C19H24N6O6 (432.1757244)


   

Gly Trp Asn Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Gly Tyr Gly His

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Gly Tyr His Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

His Cys Ser Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

His Gly Gly Tyr

(2S)-2-(2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}acetamido)-3-(4-hydroxyphenyl)propanoic acid

C19H24N6O6 (432.1757244)


   

His Gly Tyr Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

His Ser Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

His Ser Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C15H24N6O7S (432.1427114)


   

His Tyr Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}acetic acid

C19H24N6O6 (432.1757244)


   
   

Met Ala Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Met Ala Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H28N4O7S (432.1678618)


   

Met Asp Ala Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]propanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Met Asp Pro Ala

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Met Glu Gly Pro

(2S)-1-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]acetyl}pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Met Glu Pro Gly

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-5-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

C17H28N4O7S (432.1678618)


   

Met Gly Glu Pro

(2S)-1-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Met Gly Pro Glu

(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetyl}pyrrolidin-2-yl]formamido}pentanedioic acid

C17H28N4O7S (432.1678618)


   
   

Met Pro Ala Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}propanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Met Pro Asp Ala

(3S)-3-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Met Pro Glu Gly

(4S)-4-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-[(carboxymethyl)carbamoyl]butanoic acid

C17H28N4O7S (432.1678618)


   

Met Pro Gly Glu

(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}acetamido)pentanedioic acid

C17H28N4O7S (432.1678618)


   

Asn Ala Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asn Ala Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanamido]-3-carbamoylpropanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Asp Ala Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]propanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Asn Asp Gly Gln

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]acetamido}-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Asn Asp Asn Ala

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asn Asp Gln Gly

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-3-carbamoyl-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asn Glu Gly Asn

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-[({[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}methyl)carbamoyl]butanoic acid

C15H24N6O9 (432.1604694)


   

Asn Glu Asn Gly

(4S)-4-[(2S)-2-amino-3-carbamoylpropanamido]-4-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Asn Gly Asp Gln

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-carboxypropanamido]-4-carbamoylbutanoic acid

C15H24N6O9 (432.1604694)


   

Asn Gly Glu Asn

(4S)-4-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

C15H24N6O9 (432.1604694)


   

Asn Gly Gly Trp

(2S)-2-(2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}acetamido)-3-(1H-indol-3-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Asn Gly Asn Glu

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-carbamoylpropanamido]pentanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Gly Gln Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Gly Trp Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Asn Asn Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]propanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Asn Asp Ala

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Asn Asn Glu Gly

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid

C15H24N6O9 (432.1604694)


   

Asn Asn Gly Glu

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]acetamido}pentanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Gln Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C15H24N6O9 (432.1604694)


   

Asn Gln Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]acetamido}butanedioic acid

C15H24N6O9 (432.1604694)


   

Asn Trp Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}acetic acid

C19H24N6O6 (432.1757244)


   

Pro Ala Asp Met

(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Ala Met Asp

(2S)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Pro Cys Asp Val

(2S)-2-[(2S)-3-carboxy-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]-3-methylbutanoic acid

C17H28N4O7S (432.1678618)


   

Pro Cys Val Asp

(2S)-2-[(2S)-3-methyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]butanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Pro Asp Ala Met

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Asp Cys Val

(2S)-2-[(2R)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

C17H28N4O7S (432.1678618)


   

Pro Asp Asp Ser

(3S)-3-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C16H24N4O10 (432.14923639999995)


   

Pro Asp Met Ala

(3S)-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H28N4O7S (432.1678618)


   

Pro Asp Ser Asp

(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxypropanamido]butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Pro Asp Val Cys

(3S)-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H28N4O7S (432.1678618)


   

Pro Glu Gly Met

(4S)-4-[({[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Glu Met Gly

(4S)-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Gly Glu Met

(4S)-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-4-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Gly Met Glu

(2S)-2-[(2S)-4-(methylsulfanyl)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanamido]pentanedioic acid

C17H28N4O7S (432.1678618)


   

Pro Met Ala Asp

(2S)-2-[(2S)-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Pro Met Asp Ala

(3S)-3-{[(1S)-1-carboxyethyl]carbamoyl}-3-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanoic acid

C17H28N4O7S (432.1678618)


   

Pro Met Glu Gly

(4S)-4-[(carboxymethyl)carbamoyl]-4-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanoic acid

C17H28N4O7S (432.1678618)


   

Pro Met Gly Glu

(2S)-2-{2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]acetamido}pentanedioic acid

C17H28N4O7S (432.1678618)


   
   

Pro Ser Asp Asp

(2S)-2-[(2S)-3-carboxy-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Pro Val Cys Asp

(2S)-2-[(2R)-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-sulfanylpropanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Pro Val Asp Cys

(3S)-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanoic acid

C17H28N4O7S (432.1678618)


   

Gln Asp Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carboxypropanamido]acetamido}-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Gln Asp Asn Gly

(3S)-3-[(2S)-2-amino-4-carbamoylbutanamido]-3-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}propanoic acid

C15H24N6O9 (432.1604694)


   

Gln Gly Asp Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-carbamoylbutanamido]acetamido}-3-carboxypropanamido]-3-carbamoylpropanoic acid

C15H24N6O9 (432.1604694)


   

Gln Gly Asn Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-carbamoylbutanamido]acetamido}-3-carbamoylpropanamido]butanedioic acid

C15H24N6O9 (432.1604694)


   
   

Gln Asn Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C15H24N6O9 (432.1604694)


   

Gln Asn Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]acetamido}butanedioic acid

C15H24N6O9 (432.1604694)


   

Ser Cys His Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

Ser Cys Ser His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C15H24N6O7S (432.1427114)


   

Ser Asp Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C16H24N4O10 (432.14923639999995)


   

Ser Asp Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Ser His Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C15H24N6O7S (432.1427114)


   

Ser His Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C15H24N6O7S (432.1427114)


   

Ser Pro Asp Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]butanedioic acid

C16H24N4O10 (432.14923639999995)


   

Ser Ser Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C15H24N6O7S (432.1427114)


   

Ser Ser His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C15H24N6O7S (432.1427114)


   

Val Cys Asp Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Val Cys Pro Asp

(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H28N4O7S (432.1678618)


   

Val Asp Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carboxypropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C17H28N4O7S (432.1678618)


   

Val Asp Pro Cys

(3S)-3-[(2S)-2-amino-3-methylbutanamido]-4-[(2S)-2-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H28N4O7S (432.1678618)


   

Val Pro Cys Asp

(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]butanedioic acid

C17H28N4O7S (432.1678618)


   

Val Pro Asp Cys

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C17H28N4O7S (432.1678618)


   

Trp Gly Gly Asn

(2S)-2-(2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}acetamido)-3-carbamoylpropanoic acid

C19H24N6O6 (432.1757244)


   

Trp Gly Asn Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-carbamoylpropanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Trp Asn Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]acetamido}acetic acid

C19H24N6O6 (432.1757244)


   

Tyr Gly Gly His

(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-(1H-imidazol-4-yl)propanoic acid

C19H24N6O6 (432.1757244)


   

Tyr Gly His Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]acetic acid

C19H24N6O6 (432.1757244)


   

Tyr His Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}acetic acid

C19H24N6O6 (432.1757244)


   
   

3,5,6,7,8,3,4-heptamethoxyflavone

3,5,6,7,8,3,4-heptamethoxyflavone

C22H24O9 (432.14202539999997)


   
   

2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl acetate

(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate

C23H28O8 (432.1784088)


   

Trichocarposide

{3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

C22H24O9 (432.14202539999997)


   

Apiosylglucosyl 4-hydroxybenzoate

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 4-hydroxybenzoate

C18H24O12 (432.1267704)


   

Melledonal

3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

C23H28O8 (432.1784088)


   

Licoagroside B

3-hydroxy-3-methyl-5-oxo-5-({3,4,5-trihydroxy-6-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methoxy)pentanoic acid

C18H24O12 (432.1267704)


A monosaccharide derivative resulting from the formal condensation of the hydroxy group of 2-methyl-4-oxo-4H-pyran-3-yl beta-D-glucopyranoside with the carboxy group of 3-hydroxy-3-methylglutaric acid.

   

Armillaricin

3-formyl-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

C24H29ClO5 (432.17034140000004)


   

4'-O-Methylglucoliquiritigenin

2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


   

Benzyl gentiobioside

2-(benzyloxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C19H28O11 (432.16315380000003)


   

Darendoside A

2-(4-Hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside

C19H28O11 (432.16315380000003)


   
   
   

ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

ethyl 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

C21H19F3N4O3 (432.14091800000006)


   

2-(1-Trityl-1H-tetrazol-5-yl)phenylboronic acid

2-(1-Trityl-1H-tetrazol-5-yl)phenylboronic acid

C26H21BN4O2 (432.17574759999997)


   

Benzoic acid, 4-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo-, 2-phenoxyethyl ester

Benzoic acid, 4-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo-, 2-phenoxyethyl ester

C23H20N4O5 (432.143363)


   
   
   

2-((Benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol

2-((Benzoyloxy)methyl)-2-methyldibenzoate-1,3-propanediol

C26H24O6 (432.1572804)


   

Fmoc-(S)-3-Amino-3-(2-nitrophenyl)-propionic acid

Fmoc-(S)-3-Amino-3-(2-nitrophenyl)-propionic acid

C24H20N2O6 (432.13213)


   

Fmoc-(R)-3-Amino-3-(4-Nitro-Phenyl)-Propionic Acid

Fmoc-(R)-3-Amino-3-(4-Nitro-Phenyl)-Propionic Acid

C24H20N2O6 (432.13213)


   

Fmoc-(R)-3-Amino-3-(2-Nitro-Phenyl)-Propionic Acid

Fmoc-(R)-3-Amino-3-(2-Nitro-Phenyl)-Propionic Acid

C24H20N2O6 (432.13213)


   

Fmoc-(S)-3-Amino-3-(4-nitrophenyl)-propionic acid

Fmoc-(S)-3-Amino-3-(4-nitrophenyl)-propionic acid

C24H20N2O6 (432.13213)


   

1-(4-methoxyphenyl)-7,7-dimethyl-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione

1-(4-methoxyphenyl)-7,7-dimethyl-3-[(3-nitrophenyl)methyl]-6,8-dihydroquinoline-2,5-dione

C25H24N2O5 (432.1685134)


   

fmoc-l-2-nitrophenylalanine

fmoc-l-2-nitrophenylalanine

C24H20N2O6 (432.13213)


   

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-nitro-D-phenylalanine

C24H20N2O6 (432.13213)


   

Fmoc-D-phe(4-NO2)-OH

Fmoc-D-phe(4-NO2)-OH

C24H20N2O6 (432.13213)


   

N-Fmoc-4-Nitro-L-Phenylalanine

N-Fmoc-4-Nitro-L-Phenylalanine

C24H20N2O6 (432.13213)


   

1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C21H19F3N4O3 (432.14091800000006)


   
   

3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

3-[4-(3-methylsulfinyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

C22H28N2O3S2 (432.15412580000003)


   

Fmoc-D-phe(3-NO2)-OH

Fmoc-D-phe(3-NO2)-OH

C24H20N2O6 (432.13213)


   

1-BOC-4-(2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)-2-OXOETHYLCARBAMOYL)PIPERIDINE

1-BOC-4-(2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)-2-OXOETHYLCARBAMOYL)PIPERIDINE

C20H24F4N2O4 (432.1672112)


   

2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(4-NITRO-PHENYL)-PROPIONIC ACID

2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(4-NITRO-PHENYL)-PROPIONIC ACID

C24H20N2O6 (432.13213)


   

[2-[1-(TRIPHENYLMETHYL)-1H-TETRAZOL-5-YL]PHENYL]BORONIC ACID

[2-[1-(TRIPHENYLMETHYL)-1H-TETRAZOL-5-YL]PHENYL]BORONIC ACID

C26H21BN4O2 (432.17574759999997)


   
   

Fmoc-(R)-3-Amino-3-(3-nitro-phenyl)-propionic acid

Fmoc-(R)-3-Amino-3-(3-nitro-phenyl)-propionic acid

C24H20N2O6 (432.13213)


   

fmoc-d-2-nitrophenylalanine

fmoc-d-2-nitrophenylalanine

C24H20N2O6 (432.13213)


   

tetraphenylphosphonium phenolate

tetraphenylphosphonium phenolate

C30H25OP (432.164293)


   
   
   

Timolol maleate

(S)-timolol maleate

C17H28N4O7S (432.1678618)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents (S)-Timolol Maleate (L-714,465 Maleate) is a non-cardioselective hydrophilic β-adrenoceptor blocker. (S)-Timolol Maleate is widely used as standard medication for intraocular pressure (glaucoma) by preventing the production of aqueous humor. (S)-Timolol Maleate can be used for hypertension, angina pectoris and myocardial infarction[1][2][3].

   

Tetrakis(vinyldimethylsiloxy)silane

Tetrakis(vinyldimethylsiloxy)silane

C16H36O4Si5 (432.1459856)


   

dibutyltin bis(2,4-pentanedionate)

dibutyltin bis(2,4-pentanedionate)

C18H32O4Sn (432.1322462)


   

(+/-)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile, oxalate

(+/-)-4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile, oxalate

C22H25FN2O6 (432.16965619999996)


   

D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-4,5-O-(1-Methylethylidene)-,(5S)-

D-xylo-Pentodialdo-5,2-furanose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)Methyl]phenyl]-4,5-O-(1-Methylethylidene)-,(5S)-

C23H25ClO6 (432.133958)


   

Fmoc-(S)-3-Amino-3-(3-nitrophenyl)-propionic acid

Fmoc-(S)-3-Amino-3-(3-nitrophenyl)-propionic acid

C24H20N2O6 (432.13213)


   

4-[1,2,2-tris(4-cyanophenyl)ethenyl]benzonitrile

4-[1,2,2-tris(4-cyanophenyl)ethenyl]benzonitrile

C30H16N4 (432.1374896)


   

Parsaclisib

Parsaclisib

C20H22ClFN6O2 (432.1476714)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

   

N,N-Dimethyl-5-({2-Methyl-6-[(5-Methylpyrazin-2-Yl)carbamoyl]-1-Benzofuran-4-Yl}oxy)pyrimidine-2-Carboxamide

N,N-Dimethyl-5-({2-Methyl-6-[(5-Methylpyrazin-2-Yl)carbamoyl]-1-Benzofuran-4-Yl}oxy)pyrimidine-2-Carboxamide

C22H20N6O4 (432.154596)


   

Methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-D-phenylalaninate

Methyl N-[(4-methylphenyl)sulfonyl]glycyl-3-[amino(imino)methyl]-D-phenylalaninate

C20H24N4O5S (432.1467334)


   

2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide

2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide

C20H19F3N6O2 (432.152151)


   

2-[({2-[(1Z)-3-(Dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

2-[({2-[(1Z)-3-(Dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C22H25FN2O4S (432.1518982)


   

5-Epichaetoviridin A

5-Epichaetoviridin A

C23H25ClO6 (432.133958)


An azaphilone that is the 5-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.

   

N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine

N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinyl)-9-(3-thiophenyl)-6-purinamine

C21H20N8OS (432.148071)


   

N-(furan-2-ylmethylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C20H24N4O5S (432.1467334)


   

Ketone, 2-ethoxy-2,4-diphenyl-2H-1-benzopyran-3-yl phenyl

Ketone, 2-ethoxy-2,4-diphenyl-2H-1-benzopyran-3-yl phenyl

C30H24O3 (432.1725354)


   

N-(Tert-Butyl)-4-[5-(Pyridin-2-Ylamino)quinolin-3-Yl]benzenesulfonamide

N-(Tert-Butyl)-4-[5-(Pyridin-2-Ylamino)quinolin-3-Yl]benzenesulfonamide

C24H24N4O2S (432.1619884)


   

Medicarpin glucoside

(2S,3R,4S,5S,6R)-2-[[(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C22H24O9 (432.14202539999997)


   

10-44-6

(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(phenylmethoxy)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

C19H28O11 (432.16315380000003)


   
   

3,4,5,3,5,6,7-Heptamethoxyflavone

3,4,5,3,5,6,7-Heptamethoxyflavone

C22H24O9 (432.14202539999997)


   

[(2R,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

[(2R,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

C24H29ClO5 (432.17034140000004)


   

4-Epichaetoviridin A

4-Epichaetoviridin A

C23H25ClO6 (432.133958)


An azaphilone that is the 4-epimer of chaetoviridin A. It has been isolated from Chaetomium globosum.

   

4-(4-Methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole

4-(4-Methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole

C23H20N4O3S (432.12560500000006)


   

4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide

4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide

C24H24N4O2S (432.1619884)


   
   

N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(1H-benzimidazol-2-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C23H20N4O3S (432.12560500000006)


   

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide

C21H24N2O6S (432.1355004)


   

5-Morpholin-4-yl-9-m-tolyl-1,2,3,4-tetrahydro-9H-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one

5-Morpholin-4-yl-9-m-tolyl-1,2,3,4-tetrahydro-9H-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one

C24H24N4O2S (432.1619884)


   

2-Phenylacetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester

2-Phenylacetic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester

C25H24N2O5 (432.1685134)


   

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide

C23H20N4O3S (432.12560500000006)


   

N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide

N-cyclopentyl-2-[2-oxolanylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-thiophen-2-ylacetamide

C22H28N2O3S2 (432.15412580000003)


   

ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C21H24N2O6S (432.1355004)


   

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide

C21H20N8O3 (432.16582900000003)


   

2-[5-(4-Fluorophenoxy)-4-(trifluoromethyl)biphenyl-3-yl]pentanoic acid

2-[5-(4-Fluorophenoxy)-4-(trifluoromethyl)biphenyl-3-yl]pentanoic acid

C24H20F4O3 (432.1348498)


   

2,3,6,7-Tetrakis(allyloxy)anthracene-9,10-dione

2,3,6,7-Tetrakis(allyloxy)anthracene-9,10-dione

C26H24O6 (432.1572804)


   

2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

2-[(2S,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

C22H28N2O5S (432.17188380000005)


   

(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(6S,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6R,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6R,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

C22H28N2O5S (432.17188380000005)


   

2-[(2R,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

2-[(2R,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

C22H28N2O5S (432.17188380000005)


   

2-[(2R,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

2-[(2R,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

C22H28N2O5S (432.17188380000005)


   

2-[(2R,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

2-[(2R,5S,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide

C22H28N2O5S (432.17188380000005)


   

(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

(1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1R,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

(1R,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[oxo(3-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1R,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1R,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[oxo(2-pyridinyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

C24H21FN4O3 (432.15976079999996)


   

(6S,7S,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6R,7S,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6R,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6S,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   

(6S,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8R)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

C24H21FN4O3 (432.15976079999996)


   
   
   
   
   
   
   
   
   
   

Dihydroformononetin 7-O-glucoside

Dihydroformononetin 7-O-glucoside

C22H24O9 (432.14202539999997)


   

3,4,5-Trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

C22H24O9 (432.14202539999997)


   

2-Chloro-4-[[6-[3-(3-hydroxypropylamino)propoxy]-7-methoxyquinazolin-4-yl]amino]phenol

2-Chloro-4-[[6-[3-(3-hydroxypropylamino)propoxy]-7-methoxyquinazolin-4-yl]amino]phenol

C21H25ClN4O4 (432.156424)


   

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-amine

C22H26ClFN4O2 (432.1728218)


   
   

[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexanoate

[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexanoate

C15H29O12P (432.13965640000004)


   
   
   
   
   

2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


A methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3, 4 and 5.

   
   
   

ML-298

ML-298

C22H23F3N4O2 (432.1773014)


ML298 is a potent and selective inhibitor of Phospholipase D2 (PLD2) with an IC50 of 355 nM. ML298 decreases invasive migration in U87-MG glioblastoma cells[1].

   

(3r)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid

(3r)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid

C18H24O12 (432.1267704)


   

(3s)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid

(3s)-3-hydroxy-3-methyl-5-oxo-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid

C18H24O12 (432.1267704)


   

2-[(2s,5z)-3,6-dihydroxy-5-(2-methylpropylidene)-2h-pyrazin-2-yl]propan-2-yl 2-[(4-nitrophenyl)formamido]acetate

2-[(2s,5z)-3,6-dihydroxy-5-(2-methylpropylidene)-2h-pyrazin-2-yl]propan-2-yl 2-[(4-nitrophenyl)formamido]acetate

C20H24N4O7 (432.1644914)


   

(6r,6ar,9s,9as)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-6-methoxy-6a-methyl-6h,9h,9ah-furo[2,3-h]isochromen-8-one

(6r,6ar,9s,9as)-9-acetyl-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-6-methoxy-6a-methyl-6h,9h,9ah-furo[2,3-h]isochromen-8-one

C24H29ClO5 (432.17034140000004)


   

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol

C19H28O11 (432.16315380000003)


   

(1s,2e,8s,10s)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl (2z)-4-hydroxy-3-methylbut-2-enoate

(1s,2e,8s,10s)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl (2z)-4-hydroxy-3-methylbut-2-enoate

C22H24O9 (432.14202539999997)


   

3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C22H24O9 (432.14202539999997)


   

n-[(2r,3r,4s,5r)-1,4,5,6-tetrakis(acetyloxy)-2-[(1-hydroxyethylidene)amino]hexan-3-yl]ethanimidic acid

n-[(2r,3r,4s,5r)-1,4,5,6-tetrakis(acetyloxy)-2-[(1-hydroxyethylidene)amino]hexan-3-yl]ethanimidic acid

C18H28N2O10 (432.1743868)


   

3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

C22H24O9 (432.14202539999997)


   

11'-hydroxy-8'a,9'-dimethyl-3,3',7'-trioxo-1',5',5'a,8',9',10',11',11'b-octahydro-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,6'-phenaleno[1,9a-c]furan]-10'-yl acetate

11'-hydroxy-8'a,9'-dimethyl-3,3',7'-trioxo-1',5',5'a,8',9',10',11',11'b-octahydro-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,6'-phenaleno[1,9a-c]furan]-10'-yl acetate

C22H24O9 (432.14202539999997)


   

(2r,4'as,5'r,5''s,6's,7'r,8'as)-5''-(furan-3-yl)-7'-hydroxy-6'-methyl-2',2'',8'-trioxo-tetrahydro-3'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate

(2r,4'as,5'r,5''s,6's,7'r,8'as)-5''-(furan-3-yl)-7'-hydroxy-6'-methyl-2',2'',8'-trioxo-tetrahydro-3'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate

C22H24O9 (432.14202539999997)


   

(1s,4as,5s,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid

(1s,4as,5s,7as)-7-[(acetyloxy)methyl]-5-hydroxy-1-{[(2s,3r,4s,5s,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid

C18H24O12 (432.1267704)


   

9'-hydroxy-8'a,9'-dimethyl-3,3',7'-trioxo-5',5'a,8',10',11',11'b-hexahydro-1'h-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,6'-phenaleno[3,3a-c]furan]-10'-yl acetate

9'-hydroxy-8'a,9'-dimethyl-3,3',7'-trioxo-5',5'a,8',10',11',11'b-hexahydro-1'h-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,6'-phenaleno[3,3a-c]furan]-10'-yl acetate

C22H24O9 (432.14202539999997)


   

(2e)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl 4-hydroxy-3-methylbut-2-enoate

(2e)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl 4-hydroxy-3-methylbut-2-enoate

C22H24O9 (432.14202539999997)


   

1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

C22H24O9 (432.14202539999997)


   

(1s,10s,18s)-4,15-dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.0²,⁷.0¹²,¹⁷]octadeca-2(7),3,5,12(17),13,15-hexaen-11-one

(1s,10s,18s)-4,15-dihydroxy-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.0²,⁷.0¹²,¹⁷]octadeca-2(7),3,5,12(17),13,15-hexaen-11-one

C22H24O9 (432.14202539999997)


   
   

(1s,2e,8s,10s)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl (2e)-4-hydroxy-3-methylbut-2-enoate

(1s,2e,8s,10s)-6-[(acetyloxy)methyl]-1,10-dimethyl-5,13-dioxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6,11-trien-8-yl (2e)-4-hydroxy-3-methylbut-2-enoate

C22H24O9 (432.14202539999997)