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CHEBI:222038 - Cerinolactone

ChEBI IDCHEBI:222038
ChEBI NameCerinolactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESC=C1C[C@@H]2C[C@H](C(C)C)CC[C@H]2C=C1[C@@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C18H26O3/c1-10(2)12-4-5-13-8-15(11(3)6-14(13)7-12)17-9-16(19)18(20)21-17/h8,10,12-14,16-17,19H,3-7,9H2,1-2H3/t12-,13+,14-,16-,17+/m1/s1
InChIKeyXGQCVHNPQMRYDI-QZCUMHFISA-N
Species of MetaboliteComponentSourceComments
Trichoderma cerinum (ncbitaxon:202912) - PubMed (22196692)
ChEBI Ontology
Outgoing Relation(s)
Cerinolactone (CHEBI:222038) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,5S)-5-[(4aS,6R,8aR)-3-methylidene-6-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-2-yl]-3-hydroxyoxolan-2-one
Manual XrefsDatabases
28289593ChemSpider