EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216033 - Apersitin

ChEBI IDCHEBI:216033
ChEBI NameApersitin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21NO4
Net Charge0
Average Mass267.325
Monoisotopic Mass267.14706
SMILESCC[C@H](C)C(=O)C1=C(N)[C@@](C)(O)C(=O)C(C)=C1OC
InChIInChI=1S/C14H21NO4/c1-6-7(2)10(16)9-11(19-5)8(3)13(17)14(4,18)12(9)15/h7,18H,6,15H2,1-5H3/t7-,14+/m0/s1
InChIKeyUYJPMNCMOPWWNM-JKYUHCHBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - DOI (10.1016/s0040-4039(00)81972-3)
ChEBI Ontology
Outgoing Relation(s)
Apersitin (CHEBI:216033) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(6R)-5-amino-6-hydroxy-3-methoxy-2,6-dimethyl-4-[(2S)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
52085538ChemSpider