Exact Mass: 592.1872756

http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 2

Isowertin 2'-rhamnoside

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one

Isolated from Avena sativa (coats) and Gnetum africanum. Isoswertin 2-rhamnoside is found in oat, cereals and cereal products, and green vegetables. Isowertin 2-rhamnoside is found in cereals and cereal products. Isowertin 2-rhamnoside is isolated from Avena sativa (coats) and Gnetum africanum.

Pentamidine isethionate

C23H36N4O10S2 (592.1872756)

P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01C - Agents against leishmaniasis and trypanosomiasis D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent

6'-O-(3-Hydroxy-3-methylglutaroyl)astragalin

5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

6-O-(3-Hydroxy-3-methylglutaroyl)astragalin is found in citrus. 6-O-(3-Hydroxy-3-methylglutaroyl)astragalin is a constituent of aged callus cultures of lime (Citrus aurantifolia). Constituent of aged callus cultures of lime (Citrus aurantifolia). 6-(3-Hydroxy-3-methylbutanoyl)astragalin is found in citrus.

Apigenin 7-[rhamnosyl-(1->2)-galacturonide]

3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is found in green vegetables. Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is isolated from flowers of Silybum marianum (milk thistle) Apigenin is a flavone that is the aglycone of several glycosides. It is a yellow crystalline solid that has been used to dye wool. Apigenin is a plant-derived flavonoid that has significant promise as a skin cancer chemopreventive agent. Apigenin inhibits the expression of involucrin (hINV), a marker of keratinocyte differentiation, is increased by differentiating agents via a protein kinase Cdelta (PKCdelta), Ras, MEKK1, MEK3 cascade that increases AP1 factor level and AP1 factor binding to DNA elements in the hINV promoter. Apigenin suppresses the 12-O-tetradeconylphorbol-13-acetate-dependent increase in AP1 factor expression and binding to the hINV promoter and the increase in hINV promoter activity. Apigenin also inhibits the increase in promoter activity observed following overexpression of PKCdelta, constitutively active Ras, or MEKK1. The suppression of PKCdelta activity is associated with reduced phosphorylation of PKCdelta-Y311. Activation of hINV promoter activity by the green tea polyphenol, (-)-epigellocathecin-3-gallate, is also inhibited by apigenin, suggesting that the two chemopreventive agents can produce opposing actions in keratinocytes. (PMID: 16982614); Apigenin, a flavone abundantly found in fruits and vegetables, exhibits antiproliferative, anti-inflammatory, and antimetastatic activities through poorly defined mechanisms. This flavonoid provides selective activity to promote caspase-dependent-apoptosis of leukemia cells and uncover an essential role of PKCdelta during the induction of apoptosis by apigenin. (PMID: 16844095); Apigenin markedly induces the expression of death receptor 5 (DR5) and synergistically acts with exogenous soluble recombinant human tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) to induce apoptosis in malignant tumor cells. On the other hand, apigenin-mediated induction of DR5 expression is not observed in normal human peripheral blood mononuclear cells. Moreover, apigenin does not sensitize normal human peripheral blood mononuclear cells to TRAIL-induced apoptosis. (PMID: 16648565). Isolated from flowers of Silybum marianum (milk thistle). Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is found in green vegetables.

Osmanthuside B

5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Osmanthuside B is found in herbs and spices. Osmanthuside B is isolated from leaves of Osmanthus fragrans (sweet osmanthus). Isolated from leaves of Osmanthus fragrans (sweet osmanthus). Osmanthuside B is found in herbs and spices.

Margaritene

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Margaritene is found in fruits. Margaritene is isolated from Fortunella margarita (oval kumquat) and Fortunella japonica (round kumquat). Isolated from Fortunella margarita (oval kumquat) and Fortunella japonica (round kumquat). Margaritene is found in fruits.

Aurasperone C

2,5-dihydroxy-6,8-dimethoxy-2-methyl-10-{2,5,8-trihydroxy-6-methoxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-7-yl}-2H,3H,4H-naphtho[2,3-b]pyran-4-one

Aurasperone C is a mycotoxin pigment from Aspergillus niger and Aspergillus awamor

8-Acetoxy-4'-methoxypinoresinol 4-glucoside

1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate

8-Acetoxy-4-methoxypinoresinol 4-glucoside is found in fats and oils. 8-Acetoxy-4-methoxypinoresinol 4-glucoside is a constituent of Olea europaea (olive). Constituent of Olea europaea (olive). 8-Acetoxy-4-methoxypinoresinol 4-glucoside is found in pomes, fats and oils, and herbs and spices.

8,8'-Methylenebiscatechin

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]methyl}-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

8,8-Methylenebiscatechin is found in cocoa and cocoa products. 8,8-Methylenebiscatechin is a constituent of cacao liquor, Theobroma cacao. Constituent of cacao liquor, Theobroma cacao. 8,8-Methylenebiscatechin is found in cocoa and cocoa products and cocoa bean.

ax-4'-Hydroxy-3-'-methoxymaysin

6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

ax-4-Hydroxy-3--methoxymaysin is found in cereals and cereal products. ax-4-Hydroxy-3--methoxymaysin is isolated from corn silk (Zea mays

Isomargaritene

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one

Isomargaritene is found in fruits. Isomargaritene is isolated from Fortunella margarita (oval kumquat) and Fortunella japonica (round kumquat). Isolated from Fortunella margarita (oval kumquat) and Fortunella japonica (round kumquat). Isomargaritene is found in fruits.

Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside]

5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-3-(hydroxymethyl)oxolan-3-yl acetic acid

Liquiritigenin 4-[3-acetylapiosyl-(1->2)-glucoside] is found in herbs and spices. Liquiritigenin 4-[3-acetylapiosyl-(1->2)-glucoside] is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice) Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Liquiritigenin 4-[3-acetylapiosyl-(1->2)-glucoside] is found in herbs and spices.

Daidzin 4'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acid

Daidzin 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Fomidacillin

6-{[2-(3,4-dihydroxyphenyl)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxyethylidene]amino}-6-[(hydroxymethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C24H28N6O10S (592.1587548)

Linarin

5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one

Acacetin 7-rutinoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Acacetin 7-rutinoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Acacetin 7-rutinoside can be found in linden, orange mint, and spearmint, which makes acacetin 7-rutinoside a potential biomarker for the consumption of these food products. Linarin (Buddleoside), isolated from the flower extract of Mentha arvensis, shows selective dose dependent inhibitory effect on acetylcholinesterase (AChE)[1]. Linarin (Buddleoside), isolated from the flower extract of Mentha arvensis, shows selective dose dependent inhibitory effect on acetylcholinesterase (AChE)[1].

Proanthocyanidin

2-(3,5-dihydroxy-4-methoxyphenyl)-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Isoswertisin 4'-rhamnoside

5-hydroxy-7-methoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)-4H-chromen-4-one

Isoswertisin 4-rhamnoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Isoswertisin 4-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isoswertisin 4-rhamnoside can be found in oat, which makes isoswertisin 4-rhamnoside a potential biomarker for the consumption of this food product.

2'-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin

6-[(3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

2-o-alpha-l-rhamnosyl-6-c-fucosyl-3-methoxyluteolin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-alpha-l-rhamnosyl-6-c-fucosyl-3-methoxyluteolin can be found in corn, which makes 2-o-alpha-l-rhamnosyl-6-c-fucosyl-3-methoxyluteolin a potential biomarker for the consumption of this food product.

Proanthocyanidins

(2R,3R,4R)-4-[(3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Proanthocyanidins, also known as zangrado or polyhydroxyflavan-3-ol, is a member of the class of compounds known as biflavonoids and polyflavonoids. Biflavonoids and polyflavonoids are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3-C3, and C6-C8. Proanthocyanidins is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Proanthocyanidins can be found in a number of food items such as roselle, allspice, cocoa bean, and sweet bay, which makes proanthocyanidins a potential biomarker for the consumption of these food products. Proanthocyanidins were discovered in 1947 by Jacques Masquelier, who developed and patented techniques for the extraction of oligomeric proanthocyanidins from pine bark and grape seeds. Often associated with consumer products made from cranberries, grape seeds or red wine, proanthocyanidins were once proposed as factors inhibiting urinary tract infections in women, but this research has been refuted by expert scientific committees . D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D020011 - Protective Agents > D000975 - Antioxidants

Linarin

5-Hydroxy-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Acquisition and generation of the data is financially supported in part by CREST/JST. Linarin is a natural product found in Silene firma, Scoparia dulcis, and other organisms with data available. Linarin (Buddleoside), isolated from the flower extract of Mentha arvensis, shows selective dose dependent inhibitory effect on acetylcholinesterase (AChE)[1]. Linarin (Buddleoside), isolated from the flower extract of Mentha arvensis, shows selective dose dependent inhibitory effect on acetylcholinesterase (AChE)[1].

Fortunellin

7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-4-chromenone

Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST. Fortunellin, is a flavonoid, that can be isolated from the fruits of Fortunella margarita (kumquat). Fortunellin exhibits little toxicity to mice and suppresses inflammation and ROS generation in H9C2 cells induced by LPS. Fortunellin protects against fructose-induced inflammation and oxidative stress by enhancing AMPK/Nrf2 pathway. Fortunellin can be used for diabetic cardiomyopathy research[1].

Biochanin A 7-O-rutinoside

Isoflavone base + 1O, 1MeO, O-Hex-Hex

Annotation level-3

Cannabin

3,5-Dihydroxyflavone-7-methoxyflavone 3-rhamnosyl- (1->6) -glucoside

Ligurobustoside M

C26H40O15 (592.236709)

Osmanthuside B6

Liquiritigenin 7-(3-acetylapiofuranoside)-4-glucoside

7,4-Dihydroxyflavanone 7- (3-acetylapiofuranoside) -4-glucoside

Swertisin 2-O-rhamnoside

Ourateaproanthocyanidin A

Flavocummelin

5,4-Dihydroxy-7-methoxyflavone 6-C-glucoside-4-O-rhamnoside

Fagovatin

5,4-Dihydroxy-7-methoxyflavone 6-C- [ rhamnosyl- (1->6) -glucoside ]

Saikoisoflavonoside A

7-Hydroxy-4-methoxyisoflavone 7-O-(6-glucosylglucoside)

Luteolin 7-(3-acetylapiosyl-(1->2)-xyloside)

Isocytisoside 3-O-alpha-L-rhamnopyranoside

6- [ 3-O- (6-Deoxy-alpha-L-mannopyranosyl) -beta-D-glucopyranosyl ] -5,7-dihydroxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

Yopaaoside A

Luteolin 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]

7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one

2-O-alpha-L-Rhamnosyl-6-C-fucosyl-3-methoxyluteoiin

6)-glucoside

5-Methoxy-2- (4-methoxyphenyl) -7- [ (6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl) oxy ] -4H-1-benzopyran-4-one

Afromosin 7-O-(2-apiosylglucoside)

7-Hydroxy-6,4-dimethoxyisoflavone 7-O-(2-apiosylglucoside)

Cytisoside 3-O-beta-D-rhamnopyranoside

Derriscandenoside B

7,8-Dihydroxy-4-methoxyisoflavone 7-O-(6-rhamnosylglucoside)

Scutellarein 7-[6-(3-Hydroxy-3-methylglutaryl)glucoside]

7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Syringetin 3-(2,3-diacetylglucoside)

3- [ (2,3-Di-O-acetyl-beta-D-glucopyranosyl) oxy ] -5,7-dihydroxy-2- (4-hydroxy-3,5-dimethoxyphenyl) -4H-1-benzopyran-4-one

Isomollupentin 7,4-dimethyl ether 2-O-glucoside

6- (2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyl) -5-hydroxy-7-methoxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

Kaempferide 3,7-dirhamnoside

Apigenin 7-glucuronide-4-rhamnoside

5,7,4-Trihydroxyflavone 7-glucuronide-4-rhamnoside

Retusin 7-O-neohesperidoside

7,8-Dihydroxy-4-methoxyisoflavone 7-O-rhamnosyl- (1->2) -glucoside

4,5-Dihydroxy-7-methoxyisoflavone 3-O-(3-E-cinnamoylglucoside)

Torosaflavone B 3-O-beta-D-glucopyranoside

6- (2,6-Dideoxy-beta-D-lyxo-hexopyranosyl) -5,7-dihydroxy-2- [ 3- (beta-D-glucopyranosyloxy) -4-methoxyphenyl ] -4H-1-benzopyran-4-one

Punjabine

C35H32N2O7 (592.2209402)

Isoswertisin 4-O-rhamnoside

3)-rhamnoside

Baicalein 6-methyl ether 7-glucosyl-(1-

2'-O-alpha-L-Rhamnosyl-6-C-fucosyl-3-methoxyluteolin

5,7,4-Trihydroxy-3-methoxyflavone 6-C-fucoside-2"-O-alpha-L-rhamnoside

Apigenin 7-rhamnosyl- (1->2) -galacturonide

5,7,4-Trihydroxyflavone 7-rhamnosyl- (1->2) -galacturonide

Baicalein 6-methyl ether 7-glucosyl- (1->3) -rhamnoside

5,7-Dihydroxy-6-methoxyflavone 7-glucosyl- (1->3) -rhamnoside

Margaritene

5,7-Dihydroxy-4-methoxyflavone

Formononetin 7-O-laminaribioside

7-Hydroxy-4-methoxyisoflavone 7-O-glucosyl- (1->3) -glucoside

Isomargaritene

5,7-Dihydroxy-2- (4-methoxyphenyl) -6- [ 2-O- (alpha-L-rhamnopyranosyl) -beta-D-glucopyranosyl ] -4H-1-benzopyran-4-one

Isoswertisin 2-O-rhamnoside

5,4-Dihydroxy-7-methoxyflavone 8-C- [ rhamnosyl- (1->2) -glucoside ]

Luteolin 7- (3'-acetylapiosyl- (1->2) -xyloside)

5,7,3,4-Tetrahydroxyflavone 7- (3"-acetylapiosyl- (1->2) -xyloside)

Buddleoside;Linarine

MCULE-9504013462

propindilactone B

tabulalin|Tabularin

propindilactone A

Acacetin-7-rutinosid

221257-06-3

microulin A

C33H36O10 (592.2308356)

7-hydroxy-4,8-dimethoxyisoflavone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

VA11585

C28H32O14

7-hydroxy-6,4-dimethoxyisoflavone 7-O-beta-D-xylopyranosyl-(1-6)-O-beta-D-glucopyranoside|gehuain

3-hydroxy-1-methoxy-2-methoxymethyl-9,10-anthraquinone-3-O-beta-D-primeveroside|lasianthuoside C

5-O-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl]-7,4-dimethoxy-4-phenylcoumarin

1,8-dihydroxy-6-methoxy-3-methylanthraquinone 8-O-rhamnosyl-(1->2)-glucoside|Physcion-8-O-rhamnosyl-(1鈥樏傗垎2)-glucoside

Isosaponarin

1,6-di-O-(E)-sinapoyl-beta-glucopyranose|1,6-Di-O-sinapoylglucose

5,7-dimethoxyflavone 4-O-[beta-D-apiofuranosyl(1-5)-beta-D-glucopyranoside]

Me glycoside,hexa-Ac-4-O-alpha-D-Mannopyranosyl-L-rhamnose

C25H36O16 (592.2003256)

beta-Gal-(1<>2)-alpha-GlcA-(1<>3)-alpha-Man-(1<>2)-glycerol|beta-Gal-(1[]2)-alpha-GlcA-(1[]3)-alpha-Man-(1[]2)-glycerol

beta-Gal-(1<*>2)-alpha-GlcA-(1<*>3)-alpha-Man-(1<*>2)-glycerol|beta-Gal-(1[*]2)-alpha-GlcA-(1[*]3)-alpha-Man-(1[*]2)-glycerol

C21H36O19 (592.1850706)

Alquds

digiferruginol-1-methylether-11-O-beta-gentobioside

5,4-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside

pestalofone D

C33H36O10 (592.2308356)

7-hydroxy-4,8-dimethoxyisoflavone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|7-hydroxy-4,8-dimethoxyisoflavone-7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside

genkwanin 4-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranoside]

2-methyl-1,3,6-trihydroxy-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl (1->2)-beta-D-glucopyranoside

eriocauloside A|hispidulin 7-O-beta-D-(6-O-cinnamoyl)glucopyranoside

6-alpha-rhamnopyranosyl-7-O-methylvitexin|arnoldioside B

Osmanthuside B

5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

chrysoeriol 6-C-beta-boivinopyranosyl-7-O-beta-glucopyranoside

6-alpha-L-rhamnosyl,8-O-acetylshanzhiside methyl ester

C26H40O15 (592.236709)

quercetin-3-O-[4-O-(3-hydroxy-3-methylglutaroyl)]-alpha-rhamnopyranoside

7-hydroxy-4,6-dimethoxyisoflavone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|7-hydroxy-4,6-dimethoxyisoflavone-7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|afromosin 7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside

7-hydroxy-4,6-dimethoxyisoflavone 7-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|7-hydroxy-4,6-dimethoxyisoflavone-7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside|afromosin 7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside

Fasciculatin

kaempferol 3-O-<6-O-(3-hydroxy-3-methylglutaroyl)-beta-glucoside>|kaempferol 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-beta-glucoside]

Woorenoside II

1-[O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-3-methoxy-6-methyl-9,10-anthraquinone|3-methylxanthopurpurin 6-O-methyl ether 8-O-beta-D-gentiobioside

kaempferol 3-O-(4-beta-D-glucopyranosyl)-alpha-L-rhamnopyranoside|multiflorin B

phoeniceroside

C25H36O16 (592.2003256)

kaempherol-3-O-[6-O-rhamnosylgalactoside]

C29H36O13

C27H28O15

puerarin 7-O-beta-D-glucuronide

diptoindonesin C

C35H28O9 (592.1733238)

3-hydroxy-6-[O-alpha-apiofuranosyl-(1->6)-beta-D-glucopyranosyloxy]-3,4-methylenedioxyflavonol

physicon 8-O-beta-rutinoside

jionoside C

8-O-methyl retusin 7-O-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside|mucodianin F

1,7a,8a,15-tetrahydroxy-6,10-diphenyl-7a,8a,15b,15c-tetrahydro, 7H,9H-diphenalen-[1,2-b:1,2-d]-furane-7,9-dione

C38H24O7 (592.1521954)

Acacetin-7-(beta-D-glucopyranosyl-2-alpha-L-Rhamnopyranosid)

5-O-methylgenistein 7-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside|hirsutissimiside B

14-hydroxy-11,13-dihydrohypocretenolide-beta-D-glucopyranoside tetraacetate

Baicalein 6-methyl ether 7-glucosyl-(1->3)-rhamnoside

Bruceantinol A

(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid

Bruceantinol A is a natural product found in Brucea javanica with data available.

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one

NCGC00380491-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one

NCGC00385636-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one

5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

NCGC00385073-01!5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

Acacetin-7-O-rutinoside

Annotation level-1

Acacetin-7-O-neohesperidoside

Disinapoyl Hexoside

Annotation level-3

Flavonol base + 3O, O-Hex+C6H9O4

Annotation level-3

5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one [IIN-based: Match]

NCGC00385073-01!5-hydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one [IIN-based: Match]

8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]

NCGC00384927-01!8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one [IIN-based: Match]

2-O-rhamnosyl-swertisin

2O-rhamnosyl-swertisin

Asp Ser Trp Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

Asp Trp Ser Trp

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Asp Trp Trp Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Glu Met Gln Trp

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

Glu Met Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

Glu Gln Met Trp

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

Glu Gln Trp Met

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

Glu Trp Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

Glu Trp Gln Met

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

Met Glu Gln Trp

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

Met Glu Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

Met Gln Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Met Gln Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

Met Trp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

Met Trp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

Gln Glu Met Trp

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Gln Glu Trp Met

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Gln Met Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Gln Met Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

Gln Trp Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Gln Trp Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

Ser Asp Trp Trp

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Ser Trp Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Ser Trp Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

Trp Asp Ser Trp

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

Trp Asp Trp Ser

(3S)-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Trp Glu Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

Trp Glu Gln Met

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

Trp Met Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

Trp Met Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]pentanedioic acid

Trp Gln Glu Met

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

Trp Gln Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

Trp Ser Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

Trp Ser Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

Trp Trp Asp Ser

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

Trp Trp Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]butanedioic acid

Apigenin 7-rhamnosyl-(1->2)-galacturonide

Acacetin 7-rutinoside

Acacetin 7-neohesperidoside

Kaempferol 3-[6-(3-hydroxy-3-methylglutaryl)glucoside]

Liquiritigenin 4-[3-acetylapiosyl-(1->2)-glucoside]

7,4-Dihydroxyflavanone 4-[3-acetylapiosy-l(1->2)-glucoside]

ISOPHORONE DIISOCYANATE

6-{4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

Aurasperone C

2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI

A dimeric naphtho-gamma-pyrone with formula C31H28O12, originally isolated from Aspergillus niger

8-Acetoxy-4'-methoxypinoresinol 4-glucoside

1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate

Apigenin 7-[rhamnosyl-(1->2)-galacturonide]

3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

8,8-Methylenebiscatechin

(2R,3S)-2-(3,4-dihydroxyphenyl)-8-{[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]methyl}-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin

5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Daidzin 4'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-oxo-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl)phenoxy]oxane-2-carboxylic acid

C32H36Fe2N2O2 (592.1475416000001)

Fomidacillin

C24H28N6O10S (592.1587548)

[4-[(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate

C33H24N2O9 (592.1481734)

(S,S)-2,2-Bis[(S)-4-isopropyloxazolin-2-yl]-1,1-biferrocene

GS-7340 (fumarate)

C25H33N6O9P (592.2046538)

Fmoc-Trp-OPfp

C32H21F5N2O4 (592.1421406)

11-[4-[2-[2-(Dibenzo[b,f][1,4]thiazepin-11-yloxy)ethoxy]ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine

C34H32N4O2S2 (592.1966572)

7,4-Di-O-methylapigenin 5-O-xylosylglucoside

Hexadecamethylcyclooctasiloxane

C16H48O8Si8 (592.1503248)

N,N-Bis(1-pyrenylmethyl)isophthalamide

C42H28N2O2 (592.2150668)

acacetin-8-C-neohesperidoside

A flavone C-glycoside that is acacetin substituted by an alpha-rhamnosyl-(1->2)-beta-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Fortunella japonica and Fortunella margarita.

7-O-Methylvitexin 2-O-beta-L-rhamnoside

A dihydroxyflavone that is vitexin having a beta-L-rhamnosyl residue attached at the 2-position of the glucitol moiety and a methyl group attached at the O-7 position of the chromene.

Isoswertisin 4-rhamnoside

2-O-alpha-L-Rhamnosyl-6-C-fucosyl-3-methoxyluteolin

3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

Buddleoflavonoloside

CID 44257874

CID 44257875

C18H31N11O10P+ (592.1992895999999)

6-O-adenylylstreptidine

dGpdG

C22H29N10O8P (592.1907364)

3-(1,3-benzodioxol-5-yl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide

C31H33FN4O5S (592.215558)

(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(3-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide

C31H33FN4O5S (592.215558)

4-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

3-(1,3-benzodioxol-5-yl)-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

3-(1,3-benzodioxol-5-yl)-1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

4-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

4-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide

N-[[(4S,5S)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[[(4R,5S)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

N-[[(4S,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

C28H28N6O5S2 (592.1562518000001)

alpha-KDN-(2->3)-beta-D-Galp-(1->4)-D-Glcp

C21H36O19 (592.1850706)

(5Z)-5-[[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

3,4,5-Trihydroxy-6-[5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-3-(4-methoxyphenyl)chromen-4-one

8-Acetoxy-4-methoxypinoresinol 4-glucoside

6-O-(3-Hydroxy-3-methylglutaroyl)astragalin

Daidzin 4-O-glucuronide

Isowertin 2-rhamnoside

ax-4-Hydroxy-3--methoxymaysin

Isoswertisin 2-rhamnoside

7-O-Methylvitexin 2-O-beta-L-rhamnoside

7-O-methylvitexin 2-O-alpha-L-rhamnoside

A derivative of vitexin having a alpha-L-rhamnosyl residue attached at the 2-position of the glucitol moiety and a methyl group attached at the O-7 position of the chromene.

ApA

C22H29N10O8P (592.1907364)

ST 23:6;O7;GlcA