EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207414 - Penicilliode A

ChEBI IDCHEBI:207414
ChEBI NamePenicilliode A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCC(=O)O[C@H](C)[C@@H](C)c1cc(O)cc(O)c1C
InChIInChI=1S/C13H18O4/c1-7(9(3)17-10(4)14)12-5-11(15)6-13(16)8(12)2/h5-7,9,15-16H,1-4H3/t7-,9-/m1/s1
InChIKeyCSNYQJREWSYZSM-VXNVDRBHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30946516)
ChEBI Ontology
Outgoing Relation(s)
Penicilliode A (CHEBI:207414) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
[(2R,3S)-3-(3,5-dihydroxy-2-methylphenyl)butan-2-yl] acetate
Manual XrefsDatabases
74590050ChemSpider