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CHEBI:218375 - Ascosalipyrrolidinone A

ChEBI IDCHEBI:218375
ChEBI NameAscosalipyrrolidinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO3
Net Charge0
Average Mass427.629
Monoisotopic Mass427.30864
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)(OCCCC)NC1=O
InChIInChI=1S/C27H41NO3/c1-8-10-11-31-27(7)15-21(26(30)28-27)25(29)24-22(17(4)9-2)19(6)14-20-13-16(3)12-18(5)23(20)24/h9,14-16,18,20,22-24H,8,10-13H2,1-7H3,(H,28,30)/b17-9+/t16-,18+,20+,22-,23+,24-,27?/m1/s1
InChIKeyLWSFRBCBNLKKFV-WTVWDHOSSA-N
Species of MetaboliteComponentSourceComments
Ascochyta (ncbitaxon:5453) - PubMed (11052082)
ChEBI Ontology
Outgoing Relation(s)
Ascosalipyrrolidinone A (CHEBI:218375) 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-butoxy-5-methyl-1H-pyrrol-2-one
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7999617ChemSpider