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CHEBI:204114 - Phomaligol A1

ChEBI IDCHEBI:204114
ChEBI NamePhomaligol A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESCCC(C)C(=O)O[C@]1(C)C(=O)C=C(OC)[C@](C)(O)C1=O
InChIInChI=1S/C14H20O6/c1-6-8(2)11(16)20-14(4)9(15)7-10(19-5)13(3,18)12(14)17/h7-8,18H,6H2,1-5H3/t8?,13-,14+/m0/s1
InChIKeyDWJRXSZPSOQYDZ-AZGGKPGBSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/s0040-4020(01)81915-3)
ChEBI Ontology
Outgoing Relation(s)
Phomaligol A1 (CHEBI:204114) is a benzoquinones (CHEBI:22729)
Phomaligol A1 (CHEBI:204114) is a quinone (CHEBI:36141)
IUPAC Name 
[(1R,5S)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] 2-methylbutanoate
Manual XrefsDatabases
10318539ChemSpider