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CHEBI:186797 - 5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan

ChEBI IDCHEBI:186797
ChEBI Name5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O12
Net Charge0
Average Mass662.688
Monoisotopic Mass662.23633
SMILESCOc1cc(-c2cc(OC)c(O)c3c2CCC(c2cc(O)c(OC)c(OC)c2)O3)c2c(c1O)OC(c1cc(O)c(OC)c(OC)c1)CC2
InChIInChI=1S/C36H38O12/c1-41-27-15-21(19-7-9-25(47-33(19)31(27)39)17-11-23(37)35(45-5)29(13-17)43-3)22-16-28(42-2)32(40)34-20(22)8-10-26(48-34)18-12-24(38)36(46-6)30(14-18)44-4/h11-16,25-26,37-40H,7-10H2,1-6H3
InChIKeyGBQSWSKEZIAPTN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan (CHEBI:186797) is a ether (CHEBI:25698)
5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan (CHEBI:186797) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3-hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-yl]-7-methoxy-3,4-dihydro-2H-chromen-8-ol
Manual XrefsDatabases
HMDB0040318HMDB
35014928ChemSpider