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CHEBI:186949 - Mulberrofuran E

ChEBI IDCHEBI:186949
ChEBI NameMulberrofuran E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H36O8
Net Charge0
Average Mass632.709
Monoisotopic Mass632.24102
SMILES[H][C@@]1(c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)C=C(C)C[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)c1ccc(O)c(CC=C(C)C)c1O
InChIInChI=1S/C39H36O8/c1-20(2)4-11-27-31(42)13-12-28(38(27)45)39(46)36-29(22-5-8-25(40)9-6-22)14-21(3)15-30(36)37-32(43)16-24(17-33(37)44)34-18-23-7-10-26(41)19-35(23)47-34/h4-10,12-13,15-19,29-30,36,40-45H,11,14H2,1-3H3/t29-,30+,36-/m0/s1
InChIKeyRQIKMRKKKIMUNB-BLBFUMABSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Mulberrofuran E (CHEBI:186949) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(1S,2R,6R)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzouran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Manual XrefsDatabases
103883791ChemSpider