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CHEBI:190321 - cis-Miyabenol C

ChEBI IDCHEBI:190321
ChEBI Namecis-Miyabenol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H32O9
Net Charge0
Average Mass680.709
Monoisotopic Mass680.20463
SMILESOc1ccc(/C=C/c2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1
InChIInChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+
InChIKeyRKFYYCKIHVEWHX-DAFODLJHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
cis-Miyabenol C (CHEBI:190321) is a benzofurans (CHEBI:35259)
IUPAC Name 
5-[6-hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzouran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzouran-3-yl]benzene-1,3-diol
Manual XrefsDatabases
HMDB0041555HMDB
4534526ChemSpider