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CHEBI:192015 - Catechin 3',7-diglucoside

ChEBI IDCHEBI:192015
ChEBI NameCatechin 3',7-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O16
Net Charge0
Average Mass614.553
Monoisotopic Mass614.18469
SMILESOCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(OC4OC(CO)C(O)C(O)C4O)c2)C(O)C3)C(O)C(O)C1O
InChIInChI=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
InChIKeyQTRNMQGMJVCPJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0037952HMDB