CHEBI:191665 - Catechin 3',4'-diglucoside

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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 Catechin 3',4'-diglucoside
ChEBI ID CHEBI:191665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O16
Net Charge 0
Average Mass 614.553
Monoisotopic Mass 614.18469
InChI InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(25-13(32)6-11-12(31)4-10(30)5-15(11)39-25)3-16(14)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2
InChIKey WEXDMQBFSBEMLP-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC3OC(C(O)C(O)C3O)CO)C=CC(C4OC=5C(CC4O)=C(O)C=C(O)C5)=C2)CO
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 Catechin 3',4'-diglucoside (CHEBI:191665) is a flavonoids (CHEBI:72544)
Catechin 3',4'-diglucoside (CHEBI:191665) is a glycoside (CHEBI:24400)
IUPAC Name
2-[3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual Xref Database
HMDB0037950 HMDB
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