CHEBI:69742 - mucusisoflavone B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mucusisoflavone B
ChEBI ID CHEBI:69742
Definition A hydroxyisoflavone, isoflavone dimer obtained from Ficus mucuso.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H32O10
Net Charge 0
Average Mass 672.67610
Monoisotopic Mass 672.19955
InChI InChI=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
InChIKey OPQNVODKGMOOPC-ZJVGCZFCSA-N
SMILES CC(C)=C[C@@H]1C[C@@](C)(Oc2ccc(cc12)-c1coc2cc(O)cc(O)c2c1=O)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species Details
Ficus mucuso (NCBI:txid309328) Found in fruit (BTO:0000486). Methanolic extract of air-dried and powdered figs(fruits) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21646915 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21619045 PubMed citation Europe PMC
Last Modified
24 June 2015