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CHEBI:225985 - O-(phenylacetyl)oudemansinol B

ChEBI IDCHEBI:225985
ChEBI NameO-(phenylacetyl)oudemansinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27ClO6
Net Charge0
Average Mass458.938
Monoisotopic Mass458.14962
SMILESCOC(=O)/C(COC(=O)Cc1ccccc1)=C(/C)[C@H](/C=C/c1ccc(Cl)c(OC)c1)OC
InChIInChI=1S/C25H27ClO6/c1-17(22(29-2)13-11-19-10-12-21(26)23(14-19)30-3)20(25(28)31-4)16-32-24(27)15-18-8-6-5-7-9-18/h5-14,22H,15-16H2,1-4H3/b13-11+,20-17-/t22-/m0/s1
InChIKeyNFVCYHPVWVBGSV-CBDDABAXSA-N
Species of MetaboliteComponentSourceComments
Favolaschia (ncbitaxon:139071) - PubMed (32193929)
ChEBI Ontology
Outgoing Relation(s)
O-(phenylacetyl)oudemansinol B (CHEBI:225985) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
methyl (2Z,4S,5E)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methyl-2-[(2-phenylacetyl)oxymethyl]hexa-2,5-dienoate