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CHEBI:198835 - Ascosalipyrrolidinone B

ChEBI IDCHEBI:198835
ChEBI NameAscosalipyrrolidinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO3
Net Charge0
Average Mass385.548
Monoisotopic Mass385.26169
SMILESC/C=C(\C)[C@@H]1C(C)=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1=CC(C)(OC)NC1=O
InChIInChI=1S/C24H35NO3/c1-8-14(3)19-16(5)11-17-10-13(2)9-15(4)20(17)21(19)22(26)18-12-24(6,28-7)25-23(18)27/h8,11-13,15,17,19-21H,9-10H2,1-7H3,(H,25,27)/b14-8+/t13-,15+,17+,19-,20+,21-,24?/m1/s1
InChIKeyIXNHWTWSLMIMNG-WVPIIYLESA-N
Species of MetaboliteComponentSourceComments
Ascochyta (ncbitaxon:5453) - PubMed (11052082)
ChEBI Ontology
Outgoing Relation(s)
Ascosalipyrrolidinone B (CHEBI:198835) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-[(1S,2R,4aR,6R,8S,8aS)-2-[(E)-but-2-en-2-yl]-3,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-methoxy-5-methyl-1H-pyrrol-2-one
Manual XrefsDatabases
8843170ChemSpider