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CHEBI:69742 - mucusisoflavone B

ChEBI IDCHEBI:69742
ChEBI Namemucusisoflavone B
Stars
DefinitionA hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso.
Last Modified24 June 2015
DownloadsMolfile
FormulaC40H32O10
Net Charge0
Average Mass672.686
Monoisotopic Mass672.19955
SMILESCC(C)=C[C@@H]1C[C@](C)(/C=C/c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc21
InChIInChI=1S/C40H32O10/c1-20(2)10-24-17-40(3,50-33-7-5-22(12-27(24)33)29-19-49-35-16-26(42)14-32(45)37(35)39(29)47)9-8-23-11-21(4-6-30(23)43)28-18-48-34-15-25(41)13-31(44)36(34)38(28)46/h4-16,18-19,24,41-45H,17H2,1-3H3/b9-8+/t24-,40+/m1/s1
InChIKeyOPQNVODKGMOOPC-ZJVGCZFCSA-N
Species of MetaboliteComponentSourceComments
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
mucusisoflavone B (CHEBI:69742) has role plant metabolite (CHEBI:76924)
mucusisoflavone B (CHEBI:69742) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
rel-(2'R,4'S)-2'-{(E)-2-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxyphenyl]ethenyl}-5,7-dihydroxy-2'-methyl-4'-(2-methylprop-1-en-1-yl)-3',4'-dihydro-2'H,4H-[3,6'-bi-1-benzopyran]-4-one
Registry NumbersSources
Reaxys:21646915Reaxys
Citations