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CHEBI:191754 - 8,8'-Methylenebiscatechin

ChEBI IDCHEBI:191754
ChEBI Name8,8'-Methylenebiscatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O12
Net Charge0
Average Mass592.553
Monoisotopic Mass592.15808
SMILESOc1ccc([C@H]2Oc3c(Cc4c(O)cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)c(O)cc(O)c3C[C@@H]2O)cc1O
InChIInChI=1S/C31H28O12/c32-18-3-1-12(5-24(18)38)28-26(40)8-16-22(36)10-20(34)14(30(16)42-28)7-15-21(35)11-23(37)17-9-27(41)29(43-31(15)17)13-2-4-19(33)25(39)6-13/h1-6,10-11,26-29,32-41H,7-9H2/t26-,27-,28+,29+/m0/s1
InChIKeyKATSZCAOGZFWJD-QUAHOIDUSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
8,8'-Methylenebiscatechin (CHEBI:191754) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0040140HMDB
30777478ChemSpider