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CHEBI:191576 - 6-Glucopyranosylprocyanidin B2

ChEBI IDCHEBI:191576
ChEBI Name6-Glucopyranosylprocyanidin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O17
Net Charge0
Average Mass740.667
Monoisotopic Mass740.19525
SMILES[H][C@]1(c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)c2c(cc(O)c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)O[C@H](c2ccc(O)c(O)c2)[C@@H]1O
InChIInChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23-,27+,28-,30-,31+,32-,33-,34-,36?/m1/s1
InChIKeyVRCSTDIDMJHJBX-XXXODXNESA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
6-Glucopyranosylprocyanidin B2 (CHEBI:191576) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
35014413ChemSpider
HMDB0037403HMDB