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CHEBI:213989 - Phomopsone B

ChEBI IDCHEBI:213989
ChEBI NamePhomopsone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESCC[C@H](C)C(=O)OC1=C2C3=COC(C)=CC3=CC(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C18H18O6/c1-5-9(2)16(20)23-15-14-12-8-22-10(3)6-11(12)7-13(19)18(14,4)24-17(15)21/h6-9H,5H2,1-4H3/t9-,18+/m0/s1
InChIKeyVEDXSLVIUMQYTL-NIVTXAMTSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (32222428)
ChEBI Ontology
Outgoing Relation(s)
Phomopsone B (CHEBI:213989) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(6aS)-3,6a-dimethyl-6,8-dioxouro[2,3-h]isochromen-9-yl] (2S)-2-methylbutanoate