CHEBI:190897 - 6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:190897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O17
Net Charge 0
Average Mass 612.493
Monoisotopic Mass 612.13265
InChI InChI=1S/C26H28O17/c27-6-13-15(31)19(35)25(41-13)42-22-16(32)14-11(39-21(22)7-1-2-9(29)10(30)3-7)4-8(28)5-12(14)40-26-20(36)17(33)18(34)23(43-26)24(37)38/h1-5,13,15,17-23,25-31,33-36H,6H2,(H,37,38)
InChIKey PMNDMSVWSAFRPO-UHFFFAOYSA-N
SMILES O1C(OC2C(OC3=C(C2=O)C(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3)C5=CC(O)=C(O)C=C5)C(O)C(O)C1CO
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190897) is a β-D-glucosiduronic acid (CHEBI:15341)
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190897) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0132735 HMDB
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