Exact Mass: 592.1966572

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

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.

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)

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

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)

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

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

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 ]

Buddleoside;Linarine

MCULE-9504013462

propindilactone B

tabulalin|Tabularin

C27H44O10S2 (592.2375764000001)

(3alpha,4beta,24s)-3,21-Disulfdte,Cholesta-5,25-diene-3,4,21,24-tetrol

alstiphyllanine F

C32H36N2O9 (592.2420686)

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

11,17-dimethoxy-18-(7-methoxy-benzo[1,3]dioxole-5-carbonyloxy)-yohimbane-16-carboxylic acid methyl ester|Veneserpin

C32H36N2O9 (592.2420686)

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)

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

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

diptoindonesin C

C35H28O9 (592.1733238)

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

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

Cys Glu Arg Trp

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

Cys Glu Trp Arg

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Cys Arg Glu Trp

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Cys Arg Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

Cys Trp Glu Arg

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

Cys Trp Arg Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]pentanedioic acid

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 Cys Arg Trp

(4S)-4-amino-4-{[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Glu Cys Trp Arg

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanoic 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 Arg Cys Trp

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

Glu Arg Trp Cys

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}butanoic acid

Glu Trp Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic 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

Glu Trp Arg Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]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

Arg Cys Glu Trp

(4S)-4-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Arg Cys Trp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

Arg Glu Cys Trp

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

Arg Glu Trp Cys

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

Arg Trp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

Arg Trp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic 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 Cys Glu Arg

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

Trp Cys Arg Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]pentanedioic 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 Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic 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 Glu Arg Cys

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]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 Arg Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]pentanedioic acid

Trp Arg Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-carbamimidamidopentanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic 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

Acacetin 7-rutinoside

Acacetin 7-neohesperidoside

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

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

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)

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

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

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