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CHEBI:211766 - Phomanone A

ChEBI IDCHEBI:211766
ChEBI NamePhomanone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O2S
Net Charge0
Average Mass172.249
Monoisotopic Mass172.05580
SMILESCS[C@@H]1CC(=O)C(CO)=C1C
InChIInChI=1S/C8H12O2S/c1-5-6(4-9)7(10)3-8(5)11-2/h8-9H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyFETWBPKDGPCAJV-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1177/1934578X19858813)
ChEBI Ontology
Outgoing Relation(s)
Phomanone A (CHEBI:211766) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(4R)-2-(hydroxymethyl)-3-methyl-4-methylsulanylcyclopent-2-en-1-one