CHEBI:175992 - trans-Resveratrol 4'-O-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 trans-Resveratrol 4'-O-glucuronide
ChEBI ID CHEBI:175992
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H20O9
Net Charge 0
Average Mass 404.371
Monoisotopic Mass 404.11073
InChI InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
InChIKey CDEBVTGYVFHDMA-OTPOQTMVSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)/C=C/C3=CC(O)=CC(O)=C3)C(O)=O
ChEBI Ontology
Outgoing trans-Resveratrol 4'-O-glucuronide (CHEBI:175992) is a glycoside (CHEBI:24400)
trans-Resveratrol 4'-O-glucuronide (CHEBI:175992) is a stilbenoid (CHEBI:26776)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
4437759 ChemSpider
HMDB0041783 HMDB
R4G PDBeChem
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