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CHEBI:191048 - Herbacetin-3,8-diglucopyranoside

ChEBI IDCHEBI:191048
ChEBI NameHerbacetin-3,8-diglucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O17
Net Charge0
Average Mass626.520
Monoisotopic Mass626.14830
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIInChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2/t12-,13-,15-,16-,18+,19+,20-,21-,26+,27+/m1/s1
InChIKeyVMOKZQAQPBUNRW-PXJYGDGDSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Herbacetin-3,8-diglucopyranoside (CHEBI:191048) is a flavonoids (CHEBI:72544)
Herbacetin-3,8-diglucopyranoside (CHEBI:191048) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
Manual XrefsDatabases
4590597ChemSpider
Registry NumbersSources
CAS:99224-12-1ChemIDplus