Exact Mass: 448.1225528

Exact Mass Matches: 448.1225528

Found 500 metabolites which its exact mass value is equals to given mass value 448.1225528, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sakuranin

[ S, (-) ] -5- (beta-D-Glucopyranosyloxy) -2,3-dihydro-2- (4-hydroxyphenyl) -7-methoxy-4H-1-benzopyran-4-one

C22H24O10 (448.13694039999996)

A flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage.

Temocaprilat

(2S)-2-{[(2S,6R)-4-(carboxymethyl)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-6-yl]amino}-4-phenylbutanoic acid

C21H24N2O5S2 (448.1126574)

Temocaprilat belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.

Temocaprilat

C21H24N2O5S2 (448.1126574)

C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor

2-[2-[[(2S)-2-amino-2-carboxyethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxy-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoic acid

C16H24N4O11 (448.14415139999994)

Isosakuranin

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

C22H24O10 (448.13694039999996)

Puddumin B is found in fruits. Puddumin B is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus subspecies Isosakuranetin 7-glucoside is found in fruits. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].

Piperenol C

[3,4,5,6-Tetrakis(acetyloxy)cyclohex-1-en-1-yl]methyl benzoic acid

C22H24O10 (448.13694039999996)

Piperenol C is found in herbs and spices. Piperenol C is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Piperenol C is found in herbs and spices.

7-Hydroxy-8-O-methylaloin B

2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

C22H24O10 (448.13694039999996)

7-Hydroxy-8-O-methylaloin A is a constituent of Aloe vera leaf

Chalconosakuranetin

(2E)-1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

C22H24O10 (448.13694039999996)

Chalconosakuranetin is found in black walnut. Chalconosakuranetin is isolated from Prunus cerasoides (wild Himalayan cherry). Isolated from Prunus cerasoides (wild Himalayan cherry). Chalconosakuranetin is found in black walnut and fruits.

Aromadendrin 4'-methyl ether 7-rhamnoside

3,5-dihydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O10 (448.13694039999996)

Aromadendrin 4-methyl ether 7-rhamnoside is found in citrus. Aromadendrin 4-methyl ether 7-rhamnoside is a constituent of the fruit of orange (Citrus sinensis). Constituent of the fruit of orange (Citrus sinensis). Aromadendrin 4-methyl ether 7-rhamnoside is found in sweet orange and citrus.

Puddumin A

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

C22H24O10 (448.13694039999996)

Constituent of Prunus cerasoides (wild Himalayan cherry). 5-Methylnaringenin 7-glucoside is found in fruits. Puddumin A is found in fruits. Puddumin A is a constituent of Prunus cerasoides (wild Himalayan cherry).

4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({[4-hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoyl]oxy}methoxy)oxane-2-carboxylic acid

C18H24O13 (448.1216854)

4-Hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide is a conjugate of 4-hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

8-Chlorodiltiazem

3-Acetoxy-8-chloro-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-(5H)-one maleate

C22H25ClN2O4S (448.12234800000004)

D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

(2S)-2-[[(2S,6R)-4-(Carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid

C21H24N2O5S2 (448.1126574)

Trombodipine

2-(1,1,3-Trioxo-2,3-dihydro-1,2-benzisothiazol-2-yl)ethyl-2,6-dimethyl-5-(ethoxycarbonyl)-4-methyl-1,4-dihydropyridine carboxylate

C21H24N2O7S (448.1304154)

Sakuranin

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

C22H24O10 (448.13694039999996)

Sakuranin 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. Thus, sakuranin is considered to be a flavonoid lipid molecule. Sakuranin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sakuranin can be found in black walnut and prunus (cherry, plum), which makes sakuranin a potential biomarker for the consumption of these food products. Sakuranin is a flavanone, a type of flavonoid. It is the O-glucoside of sakuranetin. It can be found in Prunus sp .

Dihydrowogonin 7-glucoside

5-hydroxy-8-methoxy-2-phenyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O10 (448.13694039999996)

Dihydrowogonin 7-glucoside 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. Dihydrowogonin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrowogonin 7-glucoside can be found in sour cherry, which makes dihydrowogonin 7-glucoside a potential biomarker for the consumption of this food product.

Isosakuranin

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

C22H24O10 (448.13694039999996)

Isosakuranin is a member of flavonoids and a glycoside. CID 102004611 is a natural product found in Prunus leveilleana, Prunus verecunda, and other organisms with data available. Isosakuranin is a natural product derived from the fruits of Paliurus ramosissimus[1].

Helichrysin

4,2,4-Trihydroxy-6-methoxychalcone 4-glucoside

C22H24O10 (448.13694039999996)

Dihydrowogonin 7-O-glucoside

5-Hydroxy-7- (beta-D-glucopyranosyloxy) -8-methoxyflavanone

C22H24O10 (448.13694039999996)

Artonin P

8,9-Dihydro-6,11-dihydroxy-3,3-dimethyl-9- (1-methylethenyl) -9a,13a-epoxy-3H,7H-benzo [ c ] pyrano [ 3,2-h ] xanthene-7,10,13-trione

C25H20O8 (448.115812)

Poriolin

(S) -7- (beta-D-Glucopyranosyloxy) -2,3-dihydro-5-hydroxy-2- (4-hydroxyphenyl) -6-methyl-4H-1-benzopyran-4-one

C22H24O10 (448.13694039999996)

4,2,4-Trihydroxy-6-methoxychalcone 4-glucoside

C22H24O10 (448.13694039999996)

Scorzocreticoside I

C22H24O10 (448.13694039999996)

Haplanthin

5,2-Dihydroxy-7-methoxyflavanone 2-O-glucoside

C22H24O10 (448.13694039999996)

Quinquangulin 6-O-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

Hesperetin 7-O-rhamnoside

5,7,3-Trihydroxy-4-methoxyflavanone 7-O-rhamnoside

C22H24O10 (448.13694039999996)

Alhagitin

7,4-Dihydroxy-5-methoxyflavanone 4-glucoside

C22H24O10 (448.13694039999996)

Licoagroside D

C22H24O10 (448.13694039999996)

Licoagroside E

C22H24O10 (448.13694039999996)

Homobutein 4-glucoside

4,2,4-Trihydroxy-3-methoxychalcone 4-glucoside

C22H24O10 (448.13694039999996)

Isosakuranetin 5-O-glucoside

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

C22H24O10 (448.13694039999996)

6,7-Dihydroxy-5-methoxyflavanone 7-O-glucoside

C22H24O10 (448.13694039999996)

Androechin

2,2,6-Trihydroxy-4-methoxychalcone 2-O-glucoside

C22H24O10 (448.13694039999996)

Homobutein 4-O-glucoside

4,2,4-Trihydroxy-3-methoxychalcone 4-O-glucoside

C22H24O10 (448.13694039999996)

matteuorienin

C22H24O10 (448.13694039999996)

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

C22H24O10 (448.13694039999996)

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

C22H24O10 (448.13694039999996)

Dihydrokaempferide 7-rhamnoside

3,5-dihydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one

C22H24O10 (448.13694039999996)

Neosakuranin

(E) -4,6-Dihydroxy-2- (beta-D-glucopyranosyloxy) -4-methoxychalcone

C22H24O10 (448.13694039999996)

Puddumin B

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

C22H24O10 (448.13694039999996)

ZINC1034352

C22H19F3N2O3S (448.10684200000003)

C22H24O10

C22H24O10 (448.13694039999996)

C23H29BrO4

C23H29BrO4 (448.12490940000004)

5,6-dihydroxy-8-methoxy-2,7-dimethyl-4H-naphtho[2,3-b]pyran-4-one 6-O-beta-D-glucopyranoside|quinquangulin-6-O-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

MEGxp0_000074

C22H24O10 (448.13694039999996)

thunberginol I 8-O-glucoside

C22H24O10 (448.13694039999996)

populoside A

C22H24O10 (448.13694039999996)

2-(beta-D-glucopyranosyloxy>-8-hydroxy-3-methyl-9,10-anthraquinone

C22H24O10 (448.13694039999996)

(2S,3R,5R,6S)-2,3,5,6-tetrahydroxy-4-[2-(4-hydroxyphenyl)acetyl]oxycyclohexyl-2-(4-hydroxyphenyl)acetate

C22H24O10 (448.13694039999996)

Biochanin-7-glucoside

C22H24O10 (448.13694039999996)

3S-thunberginol I 4-O-glucoside

C22H24O10 (448.13694039999996)

Rhamnocitrin-3-rhamnose

C22H24O10 (448.13694039999996)

SCHEMBL14273353

C22H24O10 (448.13694039999996)

6-O-trans-caffeoylsalicin

C22H24O10 (448.13694039999996)

Knipholone 6-methyl ether

C25H20O8 (448.115812)

2-O-acetyltrichocarpin

C22H24O10 (448.13694039999996)

melilotocarpan B 4-O-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

melilotocarpan B 8-O-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

(10S)10-C-beta-glucopyranosyl-1,8-dihydroxy-3-methyl-6-methoxy-9(10H)-anthracenone|patientoside B

C22H24O10 (448.13694039999996)

SCHEMBL14273354

C22H24O10 (448.13694039999996)

2,4,6-trihydroxy-4-methoxydihydrochalcone 2-O-beta-D-ribohexo-3-ulopyranoside|asebogenin 2-O-beta-D-ribohexo-3-ulopyranoside

C22H24O10 (448.13694039999996)

Scutellaprostin D

C25H20O8 (448.115812)

chrysoeriol 7beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

Agehoustin C

C22H24O10 (448.13694039999996)

Isoorientin

C22H24O10 (448.13694039999996)

(S)-3-(4-beta-glucopyranosyloxybenzyl)-7-hydroxy-5-methoxyphthalide

C22H24O10 (448.13694039999996)

5-hydroxyimperatorin 5-O-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-acetyl)-beta-D-glucoside|(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-(6-O-acetyl)-glucoside|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-acetyl)-??-D-glucopyranoside

(E)-2,3,5,4-tetrahydroxystilbene-2-O-(6-O-acetyl)-beta-D-glucoside|(E)-2,3,5,4-tetrahydroxystilbene-2-O-beta-D-(6-O-acetyl)-glucoside|2,3,5,4-Tetrahydroxystilbene-2-O-(6-O-acetyl)-??-D-glucopyranoside

C22H24O10 (448.13694039999996)

Paederosidic acid

C18H24O11S (448.1039274)

1,2-bis-O-(2-methoxybenzoyl)-beta-D-glucopyranoside

C22H24O10 (448.13694039999996)

5-(2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy-2-hydroxybenzoic acid

C18H24O13 (448.1216854)

Scutellaprostin A

C25H20O8 (448.115812)

2-[[[4-[[[4-[(1,3-Benzodioxole-5-yl)methyl]-2,3-dihydro-1-methyl-1H-imidazole]-2-ylidene]amino]-2,5-dihydro-5-oxo-1-methyl-1H-imidazole]-2-ylidene]amino]ethanesulfonic acid

C18H20N6O6S (448.11649800000004)

Anhydro-demethyl-chlor-tetracyclin

C21H21ClN2O7 (448.1037226)

Rheumone B

C22H24O10 (448.13694039999996)

C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

NCGC00380503-01_C22H24O10_2-(beta-D-Glucopyranosyloxy)benzyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

C22H24O10 (448.13694039999996)

Ala Asp Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-3-carboxypropanamido]pentanedioic acid

C16H24N4O11 (448.14415139999994)

Ala Asp Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-carboxybutanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Ala Glu Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanamido]-3-carboxypropanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Cys Cys His Ser

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

C15H24N6O6S2 (448.1198684)

Cys Cys Ser His

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

C15H24N6O6S2 (448.1198684)

Cys Asp Asp Pro

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

C16H24N4O9S (448.1263934)

Cys Asp Pro Asp

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

C16H24N4O9S (448.1263934)

Cys His Cys Ser

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

C15H24N6O6S2 (448.1198684)

Cys His Ser Cys

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

C15H24N6O6S2 (448.1198684)

Cys Pro Asp Asp

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

C16H24N4O9S (448.1263934)

Cys Ser Cys His

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

C15H24N6O6S2 (448.1198684)

Cys Ser His Cys

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

C15H24N6O6S2 (448.1198684)

Asp Ala Asp Glu

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

C16H24N4O11 (448.14415139999994)

Asp Ala Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-4-carboxybutanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Asp Cys Asp Pro

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

C16H24N4O9S (448.1263934)

Asp Cys Pro Asp

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

C16H24N4O9S (448.1263934)

Asp Asp Ala Glu

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

C16H24N4O11 (448.14415139999994)

Asp Asp Cys Pro

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

C16H24N4O9S (448.1263934)

Asp Asp Glu Ala

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

C16H24N4O11 (448.14415139999994)

Asp Asp Pro Cys

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

C16H24N4O9S (448.1263934)

Asp Glu Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]propanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Asp Glu Asp Ala

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C16H24N4O11 (448.14415139999994)

Asp Glu Glu Gly

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

C16H24N4O11 (448.14415139999994)

Asp Glu Gly Glu

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]acetamido}pentanedioic acid

C16H24N4O11 (448.14415139999994)

Asp Gly Glu Glu

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-4-carboxybutanamido]pentanedioic acid

C16H24N4O11 (448.14415139999994)

Asp Pro Cys Asp

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

C16H24N4O9S (448.1263934)

Asp Pro Asp Cys

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

C16H24N4O9S (448.1263934)

Glu Ala Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-carboxypropanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Glu Asp Ala Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]propanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Glu Asp Asp Ala

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

C16H24N4O11 (448.14415139999994)

Glu Asp Glu Gly

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

C16H24N4O11 (448.14415139999994)

Glu Asp Gly Glu

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]acetamido}pentanedioic acid

C16H24N4O11 (448.14415139999994)

Glu Glu Asp Gly

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

C16H24N4O11 (448.14415139999994)

Glu Glu Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]acetamido}butanedioic acid

C16H24N4O11 (448.14415139999994)

Glu Gly Asp Glu

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-carboxybutanamido]acetamido}-3-carboxypropanamido]pentanedioic acid

C16H24N4O11 (448.14415139999994)

Glu Gly Glu Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-carboxybutanamido]acetamido}-4-carboxybutanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

Gly Asp Glu Glu

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-4-carboxybutanamido]pentanedioic acid

C16H24N4O11 (448.14415139999994)

Gly Glu Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]-3-carboxypropanamido]pentanedioic acid

C16H24N4O11 (448.14415139999994)

Gly Glu Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]-4-carboxybutanamido]butanedioic acid

C16H24N4O11 (448.14415139999994)

His Cys Cys Ser

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

C15H24N6O6S2 (448.1198684)

His Cys Ser Cys

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

C15H24N6O6S2 (448.1198684)

His Ser Cys Cys

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

C15H24N6O6S2 (448.1198684)

Pro Cys Asp Asp

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

C16H24N4O9S (448.1263934)

Pro Asp Cys Asp

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

C16H24N4O9S (448.1263934)

Pro Asp Asp Cys

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

C16H24N4O9S (448.1263934)

Ser Cys Cys His

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

C15H24N6O6S2 (448.1198684)

Ser Cys His Cys

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

C15H24N6O6S2 (448.1198684)

Ser His Cys Cys

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

C15H24N6O6S2 (448.1198684)

Puddumin A

7-O-(beta-D-glucopyranosyl)-5-O-methyl naringenin

C22H24O10 (448.13694039999996)

Cyanidin 5-O-glucoside

C21H20O11 (448.100557)

TyrMe-Met-OH

(S)-2-(3-(4-methoxyphenethoxy)-4-nitrobenzamido)-5-(methylthio)pentanoic acid

C21H24N2O7S (448.1304154)

kaempferol-7-o-glucoside

kaempferol 7-O-β-D-glucopyranoside

C21H20O11 (448.100557)

naringenin-4-O-glucuronide

(3S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O11 (448.100557)

7-Hydroxy-8-O-methylaloin B

2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one

C22H24O10 (448.13694039999996)

1,2,6,8-Tetrahydroxy-3-methylanthraquinone 2-O-b-D-glucoside

1,6,8-trihydroxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

C21H20O11 (448.100557)

Azaleatin 3-arabinoside

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one

C21H20O11 (448.100557)

Piperenol C

[3,4,5,6-tetrakis(acetyloxy)cyclohex-1-en-1-yl]methyl benzoate

C22H24O10 (448.13694039999996)

Naringenin 4'-O-glucuronide

(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O11 (448.100557)

Naringenin 5-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid

C21H20O11 (448.100557)

N,N-(((4-methyl-1,3-phenylene)bis(azanediyl))bis(carbonothioyl))dibenzamide

C23H20N4O2S2 (448.102762)

Luteolin 5-galactoside

C21H20O11 (448.100557)

Benzothiazolium, 2-[3-[1-(2-hydroxyethyl)-4(1H)-quinolinylidene]-1-propen-1-yl]-3-methyl-, tetrafluoroborate(1-)

C22H21BF4N2OS (448.1403694)

Allitinib

C24H18ClFN4O2 (448.11022499999996)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Bis[(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl] methyl phosphonate P,P-dioxide

C15H31O9P3 (448.11808659999997)

PERFLUOROHEXYLETHYL DIMETHYLBUTYL ETHER

C14H17F13O (448.10717479999994)

DIPHENYL ((5-FLUORO-6-METHYLPYRIDIN-2-YL)(PHENYLAMINO)METHYL)PHOSPHONATE

C25H22FN2O3P (448.1352004)

Methyl ((S)-1-((S)-2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-Methyl-1-oxobutan-2-yl)carbamate

C20H25BrN4O3 (448.110992)

(3,4-Dimethoxybenzyl)-triphenylphosphonium chloride

C27H26ClO2P (448.13588560000005)

4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide

C21H16F4N4O3 (448.1158474)

4,4,4,4-silanetetrayltetrabenzaldehyde

C28H20O4Si (448.11308)

(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1,7-fg][1,3,2]dioxaphosphocin-5-oxide

C29H21O3P (448.1228246)

Luteolin 7-galacturonide

C21H20O11 (448.100557)

Fmoc-Tyr(3-NO2)-OH

C24H20N2O7 (448.127045)

Trombodipine

C21H24N2O7S (448.1304154)

2-(3,4-Dihydroxyphenyl)-8-galactopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one

C21H20O11 (448.100557)

4-(2,5-dioxo-1-pyrrolidinyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C23H20N4O4S (448.12052000000006)

6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H24N4O4S2 (448.1238904)

3-(3,4-Dihydroxyphenyl)acrylic acid 2-(beta-D-glucopyranosyloxy)benzyl ester

C22H24O10 (448.13694039999996)

(3r,4s)-1-{6-[3-(Methylsulfonyl)phenyl]pyrimidin-4-Yl}-4-(2,4,5-Trifluorophenyl)pyrrolidin-3-Amine

C21H19F3N4O2S (448.11807500000003)

cinaroside

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

C21H20O11 (448.100557)

Cynaroside (Luteolin 7-glucoside) is a flavonoid compound that exhibits anti-oxidative capabilities. Cynaroside is also a potent influenza RNA-dependent RNA polymerase inhibitor with an IC50 of 32 nM. Cynaroside also is a promising inhibitor for H2O2-induced apoptosis, has cytoprotection against oxidative stress-induced cardiovascular diseases. Cynaroside also has antibacterial, antifungal and anticancer activities, antioxidant and anti-inflammatory activities[1][3][4][5].

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

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

C21H20O11 (448.100557)

cyanidin-3-O-beta-D-glucoside

2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium-5-olate

C21H20O11 (448.100557)

Cyanidin-3-o-beta-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin-3-o-beta-d-glucoside can be found in a number of food items such as celeriac, squashberry, chinese broccoli, and peanut, which makes cyanidin-3-o-beta-d-glucoside a potential biomarker for the consumption of these food products. Cyanidin-3-o-β-d-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin-3-o-β-d-glucoside can be found in a number of food items such as celeriac, squashberry, chinese broccoli, and peanut, which makes cyanidin-3-o-β-d-glucoside a potential biomarker for the consumption of these food products.

2-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C22H24O10 (448.13694039999996)

2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one

C21H20O11 (448.100557)

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

C21H20O11 (448.100557)

5,6-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C21H20O11 (448.100557)

2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

C21H20O11 (448.100557)

4-(3,4-Dihydroxyphenyl)-5-beta-D-glucopyranosyloxy-7-hydroxycoumarin

C21H20O11 (448.100557)

kaempferol 5-O-beta-D-glucopyranoside

C21H20O11 (448.100557)

A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucopyranosyl moiety at position 5 via a glycosidic linkage.

kaempferol 7-O-beta-D-galactopyranoside

C21H20O11 (448.100557)

A glycosyloxyflavone that is kaempferol attached to a beta-D-galactopyranosyl moiety at position 7 via a glycosidic linkage.

5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-3,5-diene-1,2-dione

C21H20O11 (448.100557)

(2S,3S,4S,5R)-6-[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O11 (448.100557)

aureusidin 6-O-beta-glucoside

C21H20O11 (448.100557)

quercetin 3-O-alpha-L-fucopyranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a alpha-L-fucopyranosyl moiety at position 3 via a glycosidic linkage.

kaempferol 3-O-beta-D-allopyranoside

C21H20O11 (448.100557)

A glycosyloxyflavone that is kaempferol attached to a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage.

quercetin 3-O-beta-L-fucopyranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a beta-L-fucopyranosyl moiety at position 3 via a glycosidic linkage.

cyanidin 3-O-beta-D-galactoside betaine

C21H20O11 (448.100557)

An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-galactoside, arising from regioselective deprotonation of the 5-hydroxy group. Major structure at pH 7.3

L-threonyl-AMP

C14H21N6O9P (448.1107586)

6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium

C23H28BrFNO2+ (448.128732)

(L-threonyl)adenylate

C14H21N6O9P (448.1107586)

2-(3,4-dihydroxyphenyl)-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one

C21H20O11 (448.100557)

cyanidin 3-O-beta-D-glucoside betaine

C21H20O11 (448.100557)

An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-glucoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3.

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methyl-4-(3-methyl-1,4-dioxonaphthalen-2-yl)butanoyl]oxyoxane-2-carboxylic acid

C22H24O10 (448.13694039999996)

(2R)-7-hydroxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

C22H24O10 (448.13694039999996)

kaempferol 3-O-beta-L-glucopyranoside

C21H20O11 (448.100557)

A kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.

quercetin 3-O-beta-D-fucopyranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a beta-D-fucopyranosyl moiety at position 3 via a glycosidic linkage.

2-[(chloroacetyl)(3-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

C23H26Cl2N2O3 (448.1320386)

Staphyloferrin B

C16H24N4O11 (448.14415139999994)

A siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and alpha-ketoglutaric acid units.

asphodelin A-4-O-beta-glucoside

C21H20O11 (448.100557)

A beta-D-glucoside in which a beta-D-glucopyranosyl residue is attached at position 4 of asphodelin A via a glycosidic linkage. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea.

quercetin 7-O-alpha-D-rhamnopyranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a alpha-D-rhamnopyranosyl moiety at position 7 via a glycosidic linkage.

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

C21H20O11 (448.100557)

Alvaradoin N

C22H24O10 (448.13694039999996)

A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.

3-L-threonyl-AMP

C14H21N6O9P (448.1107586)

An L-threonine derivative that is the ester obtained by formal condensation of the carboxy group of L-threonine with the 3-hydroxy group of AMP.

2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H24N6O3S2 (448.13512339999994)

2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

C23H26Cl2N2O3 (448.1320386)

1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea

C22H26Cl2N4S (448.12551360000003)

quercetin 3-O-alpha-L-rhamnofuranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a alpha-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.

kaempferol 3-O-alpha-L-glucopyranoside

C21H20O11 (448.100557)

A kaempferol O-glucoside that is kaempferol attached to an alpha-L-glucopyranosyl moiety at position 3 via a glycosidic linkage.

2-{[(4E)-4-(4-methoxybenzylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide

C23H20N4O4S (448.12052000000006)

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

C21H21ClN2O7 (448.1037226)

1-[(4-Fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone

C24H21FN4O2S (448.1369178)

N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide

C22H20N6O3S (448.131753)

N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide

C21H25ClN4OS2 (448.115823)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one

C21H20O11 (448.100557)

Isoscutellarein glycoside

C21H20O11 (448.100557)

A C-glycosyl compound that is isoscutellarein attached to a beta-D-glucopyranosyl moiety at position 6 via a C-glycosidic linkage. Isolated from the rhizomes of Iris pseudopumila, it exhibits antioxidant activity.

quercetin 3-O-beta-L-rhamnofuranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a beta-L-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.

kaempferol 3-O-beta-D-glucofuranoside

C21H20O11 (448.100557)

A kaempferol O-glucoside that is kaempferol attached to a beta-D-glucofuranosyl moiety at position 3 via a glycosidic linkage.

kaempferol 5-O-beta-L-glucopyranoside

C21H20O11 (448.100557)

A kaempferol O-glucoside that is kaempferol attached to a beta-L-glucopyranosyl moiety at position 5 via a glycosidic linkage.

Bictegravir anion

C21H17F3N3O5- (448.11202480000003)

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

C24H21ClN4O3 (448.13021060000005)

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

C24H21ClN4O3 (448.13021060000005)

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

C24H21ClN4O3 (448.13021060000005)

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

C24H21ClN4O3 (448.13021060000005)

6-O-[5-hydroxy-3-(2-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-L-gulonic acid

C21H20O11 (448.100557)

quercetin 7-O-beta-L-rhamnopyranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a beta-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage.

quercetin 3-O-alpha-D-rhamnofuranoside

C21H20O11 (448.100557)

A quercetin O-glycoside that is quercetin attached to a alpha-D-rhamnofuranosyl moiety at position 3 via a glycosidic linkage.

(Z)-2-Cyano-N-[3-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

C23H20N4O6 (448.138278)

(1R,9S,10S,11S)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid

C21H21FN2O6S (448.1104298)

(1S,9R,10R,11R)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylic acid

C21H21FN2O6S (448.1104298)

Androst-4-ene-3beta,17beta-diyl disulfate

C19H28O8S2-2 (448.1225528)

5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C21H20O11 (448.100557)

2-Hydroxygenistein-7-O-glucoside

C21H20O11 (448.100557)

2-Hydroxygenistein 8-C-glucoside

C21H20O11 (448.100557)

(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one

C21H20O11 (448.100557)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(3R,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C21H20O11 (448.100557)

Fisetin 8-C-glucoside

C21H20O11 (448.100557)

A flavone C-glycoside that is fisetin substituted by a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C21H20O11 (448.100557)

Naringenin 4-O-glucuronide

C21H20O11 (448.100557)

4-Hydroxy-5-(3,4,5-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide

C18H24O13 (448.1216854)

Aromadendrin 4-methyl ether 7-rhamnoside

C22H24O10 (448.13694039999996)

ST 18:3;O8;S

C18H24O11S (448.1039274)

ST 19:2;O7;S

C19H28O10S (448.14031080000007)

VU6012962

C21H19F3N4O4 (448.13583300000005)

VU6012962 is an orally bioavailable and CNS-penetrant metabotropic glutamate receptor 7 negative allosteric modulator (mGlu7 NAM) with an IC50 of 347 nM[1].

benzyl 2-{[(2s,3r,4s,5s,6r)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxybenzoate

C22H24O10 (448.13694039999996)

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one

C21H20O11 (448.100557)

7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one

C21H20O11 (448.100557)

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

(3r)-3-(3-hydroxy-4-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one

C22H24O10 (448.13694039999996)

1,8-dihydroxy-3-(hydroxymethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}anthracene-9,10-dione

C21H20O11 (448.100557)

(3s)-7-hydroxy-5-methoxy-3-[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-3h-2-benzofuran-1-one

C22H24O10 (448.13694039999996)

5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O11 (448.100557)

2-(3,5-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C22H24O10 (448.13694039999996)

[(2r,3r,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

C22H24O10 (448.13694039999996)

(3s)-3-(4-hydroxy-3-methoxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one

C22H24O10 (448.13694039999996)

9-{[(2z)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-en-1-yl]oxy}furo[3,2-g]chromen-7-one

C22H24O10 (448.13694039999996)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one

C21H20O11 (448.100557)

1-(2-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

C22H24O10 (448.13694039999996)

2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-3-one

C21H20O11 (448.100557)

(4s,4as,11r,11ar,12as)-7-chloro-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-1,12-dioxo-4a,5,11,11a-tetrahydro-4h-tetracene-2-carboximidic acid

C21H21ClN2O7 (448.1037226)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5s)-3,4,5-trihydroxy-4-methyloxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

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

C22H24O10 (448.13694039999996)

4,7-dihydroxy-3-(2-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-2-one

C21H20O11 (448.100557)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]chromen-4-one

C21H20O11 (448.100557)

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

[(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

C22H24O10 (448.13694039999996)

(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1z)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 3-chloro-4,6-dimethoxy-2-methylbenzoate

C23H25ClO7 (448.128873)

3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C21H20O11 (448.100557)

(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-methoxybenzoyloxy)oxan-2-yl 2-methoxybenzoate

C22H24O10 (448.13694039999996)

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]chromen-4-one

C21H20O11 (448.100557)

(2r,3s)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-methoxy-7-phenyl-2h,3h-[1,4]dioxino[2,3-g]chromen-9-one

C25H20O8 (448.115812)

3-(2,4-dihydroxyphenyl)-5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(2-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

(2e)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-one

C22H24O10 (448.13694039999996)

3,5,7-trihydroxy-2-(4-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

C21H20O11 (448.100557)

(2s,3s,5r,6r)-3,5-dihydroxy-2-{3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy}-6-(hydroxymethyl)oxan-4-one

C22H24O10 (448.13694039999996)

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(4-hydroxy-3-oxidophenyl)-3-{[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H20O11 (448.100557)

3-(3-hydroxy-4-methoxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2-benzopyran-1-one

C22H24O10 (448.13694039999996)

8-hydroxy-1-methoxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroanthracene-9,10-dione

C22H24O10 (448.13694039999996)

4,7-dimethyl (1s,4ar,7s,7ar)-4a-hydroxy-5-oxo-1-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,6h,7h,7ah-cyclopenta[c]pyran-4,7-dicarboxylate

C18H24O13 (448.1216854)

methyl (2r,4s)-4-{6,14-dihydroxy-13-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-15-yl}-2-hydroxy-4-methoxybutanoate

C22H24O10 (448.13694039999996)

(2s,3s,4s,5r,6s)-6-{[(2s)-5,6-dihydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20O11 (448.100557)

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

3-(3,4-dihydroxyphenyl)-7-hydroxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (2e)-3-(2-hydroxyphenyl)prop-2-enoate

C22H24O10 (448.13694039999996)

5,7-dihydroxy-2-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

C21H20O11 (448.100557)

5,7-dihydroxy-2-(3-hydroxy-4-{[(2s,4r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one

C21H20O11 (448.100557)

4-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

C21H20O11 (448.100557)

5,7-dihydroxy-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]-2-(3,4,5-trihydroxyphenyl)chromen-4-one

C21H20O11 (448.100557)

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

C22H24O10 (448.13694039999996)

3-(2,4-dihydroxyphenyl)-5-hydroxy-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

3-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

C21H20O11 (448.100557)

3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

7,8-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

C21H20O11 (448.100557)

(2s,3r,4s,5r,6r)-2-{[(1r,10r)-15-hydroxy-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaen-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C22H24O10 (448.13694039999996)

5,7-dihydroxy-2-(4-hydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-methoxychromen-4-one

C21H20O11 (448.100557)

3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

C21H20O11 (448.100557)

3,3'4',5,7-pentahydroxyvone-3-l-rhamnoside

C21H20O11 (448.100557)

{"Ingredient_id": "HBIN007106","Ingredient_name": "3,3'4',5,7-pentahydroxyvone-3-l-rhamnoside","Alias": "NA","Ingredient_formula": "C21H20O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31766","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

4''-hydroxyimperatorin 4''-o-β-d-glucopyra-noside

C22H24O10 (448.13694039999996)

{"Ingredient_id": "HBIN010543","Ingredient_name": "4''-hydroxyimperatorin 4''-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)COC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15861","TCMID_id": "10230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

7-hydroxy-8-o-methylaloin a

C22H24O10 (448.13694039999996)

{"Ingredient_id": "HBIN013262","Ingredient_name": "7-hydroxy-8-o-methylaloin a","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "NA","Ingredient_weight": "448.426","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7442","PubChem_id": "NA","DrugBank_id": "NA"}

Amoenin A3

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; AIDS-209518; AIDS209518; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-mannopyranosyloxy)-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; amoenin a3; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone

C21H20O11 (448.100557)

{"Ingredient_id": "HBIN015880","Ingredient_name": "Amoenin A3","Alias": "5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; AIDS-209518; AIDS209518; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-mannopyranosyloxy)-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; amoenin a3; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone","Ingredient_formula": "C21H20O11","Ingredient_Smile": "C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "448.4 g/mol","OB_score": "3.321872811","CAS_id": "NA","SymMap_id": "SMIT04888","TCMID_id": "1069","TCMSP_id": "MOL002692","TCM_ID_id": "NA","PubChem_id": "5742687","DrugBank_id": "NA"}

baicalein-7- glucoside

C21H20O11 (448.100557)

{"Ingredient_id": "HBIN017512","Ingredient_name": "baicalein-7- glucoside","Alias": "NA","Ingredient_formula": "C21H20O11","Ingredient_Smile": "C1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37686","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

biochanin-7-glucoside

C22H24O10 (448.13694039999996)

{"Ingredient_id": "HBIN018522","Ingredient_name": "biochanin-7-glucoside","Alias": "NA","Ingredient_formula": "C22H24O10","Ingredient_Smile": "COC1=CC=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2386","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}