EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203012 - Altersetin

ChEBI IDCHEBI:203012
ChEBI NameAltersetin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33NO4
Net Charge0
Average Mass399.531
Monoisotopic Mass399.24096
SMILESC/C=C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(O)=C1C(=O)N[C@@H](C(C)O)C1=O
InChIInChI=1S/C24H33NO4/c1-5-6-7-8-17-11-10-16-13-14(2)9-12-18(16)24(17,4)22(28)19-21(27)20(15(3)26)25-23(19)29/h5-8,10-11,14-18,20,26,28H,9,12-13H2,1-4H3,(H,25,29)/b6-5+,8-7+,22-19?/t14-,15?,16-,17-,18-,20+,24-/m1/s1
InChIKeyAIFXMSDWXBFQTF-LJTITLJISA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (12523821)
ChEBI Ontology
Outgoing Relation(s)
Altersetin (CHEBI:203012) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
Manual XrefsDatabases
78436946ChemSpider