CHEBI:192015 - Catechin 3',7-diglucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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',7-diglucoside
ChEBI ID CHEBI:192015
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)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2
InChIKey QTRNMQGMJVCPJM-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C(O)CC3=C(O)C2)C4=CC(OC5OC(C(O)C(O)C5O)CO)=C(O)C=C4)CO
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Catechin 3',7-diglucoside (CHEBI:192015) is a flavonoids (CHEBI:72544)
Catechin 3',7-diglucoside (CHEBI:192015) is a glycoside (CHEBI:24400)
IUPAC Name
2-[[3,5-dihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0037952 HMDB
View more database links