EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220635 - Penicyclone C

ChEBI IDCHEBI:220635
ChEBI NamePenicyclone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6
Net Charge0
Average Mass272.297
Monoisotopic Mass272.12599
SMILESCOC(=O)[C@H](C)CC[C@@]1(O)C(=O)C=C(C)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H20O6/c1-7(12(17)19-3)4-5-13(18)9(14)6-8(2)10(15)11(13)16/h6-7,10-11,15-16,18H,4-5H2,1-3H3/t7-,10-,11-,13-/m1/s1
InChIKeyYYHLRTDGNHDAMG-GDECHXLSSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F23-2 (ncbitaxon:543960) - PubMed (26540093)
ChEBI Ontology
Outgoing Relation(s)
Penicyclone C (CHEBI:220635) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R)-2-methyl-4-[(1S,5R,6R)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoate
Manual XrefsDatabases
44210805ChemSpider