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CHEBI:217535 - Phomaligadione A

ChEBI IDCHEBI:217535
ChEBI NamePhomaligadione A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCCC(C)C(=O)O[C@]1(C)C(=O)C=C(OC)C(C)C1=O
InChIInChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-9H,6H2,1-5H3/t8?,9?,14-/m1/s1
InChIKeyWDHSIBDVOVMUBZ-OAQUUNCKSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/s0040-4020(01)81915-3)
ChEBI Ontology
Outgoing Relation(s)
Phomaligadione A (CHEBI:217535) is a benzoquinones (CHEBI:22729)
Phomaligadione A (CHEBI:217535) is a quinone (CHEBI:36141)
IUPAC Name 
[(1R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] 2-methylbutanoate
Manual XrefsDatabases
10318540ChemSpider