Chemical Formula: C15H16O9

Chemical Formula C15H16O9

Found 52 metabolite its formula value is C15H16O9

Aesculin

7-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one hydrate;Esculin Sesquihydrate

C15H16O9 (340.0794286)


Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin. Esculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P esculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Esculin belongs to the family of Glycosyl Compounds. These are carbohydrate derivatives in which a sugar group is bonded through its anmoeric carbonA to another group via a C-, S-,N-,O-, or Se- glycosidic bond. Esculin is a natural product found in Ficus septica, Gardenia jasminoides, and other organisms with data available. A derivative of COUMARIN with molecular formula C15H16O9. See also: Horse Chestnut (part of); Aesculus hippocastanum bark (part of). Aesculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P Aesculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum) Vitamin C2 is generally considered a bioflavanoid, related to vitamin P A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. Acquisition and generation of the data is financially supported in part by CREST/JST. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].

   

Daphnin

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

C15H16O9 (340.0794286)


Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin. Daphnin is a natural product found in Stellera chamaejasme, Daphne gnidium, and other organisms with data available. Daphnin is one of the major coumarin bioactive components with antibacterial activity. Daphnin is isolated from the whole herb of Daphne odora (Thunb.), which is a folk medicine in China for the relief of fever[1][2].

   

Cichoriin

6-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one

C15H16O9 (340.0794286)


Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Isolated from chicory (Cichorium intybus). Cichoriin is found in chicory and green vegetables. Cichoriin is found in chicory. Cichoriin is isolated from chicory (Cichorium intybus Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].

   

Sinapoyl malate

(E)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid

C15H16O9 (340.0794286)


Annotation level-2 Acquisition and generation of the data is financially supported in part by CREST/JST.

   

6-{2-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

6-{2-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


   

6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxyphenyl)prop-2-enoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.

   

O-Coumaric acid glucuronide

6-{2-[(1Z)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


   

p-Coumaric acid glucuronide

(2S,3S,4S,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


   

Daphnetin glucoside

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

C15H16O9 (340.0794286)


Daphnetin glucoside is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Daphnetin glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Daphnetin glucoside can be found in coriander, which makes daphnetin glucoside a potential biomarker for the consumption of this food product.

   
   
   

Sinapoyl-(S)-malate

Sinapoyl-(S)-malate

C15H16O9 (340.0794286)


   

Daphnetin glucoside

Daphnetin glucoside

C15H16O9 (340.0794286)


   
   
   
   

dauroside D|mulberroside|mulberroside B

dauroside D|mulberroside|mulberroside B

C15H16O9 (340.0794286)


   

Benzene-1,2,3,5-tetracarboxylic acid, 4-methoxy, tetramethyl ester

Benzene-1,2,3,5-tetracarboxylic acid, 4-methoxy, tetramethyl ester

C15H16O9 (340.0794286)


   

5-hydroxy-8-O-beta-D-glucopyranosyl-2H-1-benzopyran-2-one

5-hydroxy-8-O-beta-D-glucopyranosyl-2H-1-benzopyran-2-one

C15H16O9 (340.0794286)


   
   

5,7-dihydroxychromone 7-beta-D-glucoside|5,7-dihydroxychromone 7-O-beta-D-glucopyranoside|5,7-dihydroxychromone-7-O-beta-D-glucopyranoside|5-hydroxychromone-7-O-glucoside

5,7-dihydroxychromone 7-beta-D-glucoside|5,7-dihydroxychromone 7-O-beta-D-glucopyranoside|5,7-dihydroxychromone-7-O-beta-D-glucopyranoside|5-hydroxychromone-7-O-glucoside

C15H16O9 (340.0794286)


   

5,7-dihydroxucoumarin-7-O-beta-D-glucopyranoside|5,7-dihydroxycoumarin 7-O-beta-D-glucopyranoside

5,7-dihydroxucoumarin-7-O-beta-D-glucopyranoside|5,7-dihydroxycoumarin 7-O-beta-D-glucopyranoside

C15H16O9 (340.0794286)


   

Esculin

Esculetin-O-glucoside

C15H16O9 (340.0794286)


Origin: Plant; Formula(Parent): C15H16O9; Bottle Name:Esculin sesquihydrate; PRIME Parent Name:6,7-Dihydroxycoumarin-6-glucoside; PRIME in-house No.:V0125, Coumarins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.391 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.385 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.384 Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].

   

4-O-beta-D-glucosyl-esculetin

4-O-beta-D-glucosyl-esculetin

C15H16O9 (340.0794286)


   

4-O- beta -D-glucosyl-daphnetin

4-O- beta -D-glucosyl-daphnetin

C15H16O9 (340.0794286)


   

3-O-beta-D-glucosyl-daphnetin

3-O-beta-D-glucosyl-daphnetin

C15H16O9 (340.0794286)


   

3-O-beta-D-glucosyl-esculetin

3-O-beta-D-glucosyl-esculetin

C15H16O9 (340.0794286)


   

5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside

5,7-Dihydroxycoumarin 7-O-|A-D-glucopyranoside

C15H16O9 (340.0794286)


5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a natural product found in Morus alba var. multicaulis, Morus alba, and Morus nigra with data available.

   

esculin hydrate

esculin hydrate

C15H16O9 (340.0794286)


CONFIDENCE standard compound; ML_ID 40

   

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

NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C15H16O9 (340.0794286)


   

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

NCGC00380261-01!7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C15H16O9 (340.0794286)


   
   
   
   

6,7-Dihydroxycoumarin-6-glucoside

6,7-Dihydroxycoumarin-6-glucoside

C15H16O9 (340.0794286)


Annotation level-1

   

7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]

NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]

C15H16O9 (340.0794286)


   

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

NCGC00094874-06!7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]

C15H16O9 (340.0794286)


   

Daphnetin-8-glucoside

Daphnetin-8-glucoside

C15H16O9 (340.0794286)


   

4-[(E)-2-Carboxyethenyl]phenyl beta-D-glucopyranosiduronic acid

4-[(E)-2-Carboxyethenyl]phenyl beta-D-glucopyranosiduronic acid

C15H16O9 (340.0794286)


   

Escosyl

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

C15H16O9 (340.0794286)


Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].

   

20853-56-9

7-hydroxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone

C15H16O9 (340.0794286)


   

Cichoriin

6-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one

C15H16O9 (340.0794286)


Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].

   

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

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

C15H16O9 (340.0794286)


   

sinapic acid (S)-malate ester

sinapic acid (S)-malate ester

C15H16O9 (340.0794286)


   

4-O-beta-D-glucosyl-daphnetin

4-O-beta-D-glucosyl-daphnetin

C15H16O9 (340.0794286)


   

6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


   

4-[4-[(Z)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoic acid

4-[4-[(Z)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoic acid

C15H16O9 (340.0794286)


   

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

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

C15H16O9 (340.0794286)


   

6-[2-(3-Ormyloxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-(3-Ormyloxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C15H16O9 (340.0794286)


   

(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid

(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid

C15H16O9 (340.0794286)


   

2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid

2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid

C15H16O9 (340.0794286)