CHEBI:191616 - 4'-Methyl-(-)-epigallocatechin 7-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4'-Methyl-(-)-epigallocatechin 7-glucuronide
ChEBI ID CHEBI:191616
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O13
Net Charge 0
Average Mass 496.421
Monoisotopic Mass 496.12169
InChI InChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1
InChIKey DIBOSYWBDWWWDM-HAQXZMAGSA-N
SMILES O1[C@@H](OC=2C=C3O[C@@H]([C@H](O)CC3=C(O)C2)C4=CC(O)=C(OC)C(O)=C4)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 4'-Methyl-(-)-epigallocatechin 7-glucuronide (CHEBI:191616) is a flavonoids (CHEBI:72544)
4'-Methyl-(-)-epigallocatechin 7-glucuronide (CHEBI:191616) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
30777595 ChemSpider
HMDB0041676 HMDB
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Registry Number Type Source
1038922-74-5 CAS Registry Number ChemIDplus