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CHEBI:216647 - Conidiogenone I

ChEBI IDCHEBI:216647
ChEBI NameConidiogenone I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESC[C@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@]132
InChIInChI=1S/C20H32O3/c1-12-14(22)9-15(23)19(4)6-5-13-16-17(2,10-20(12,13)19)7-8-18(16,3)11-21/h12-14,16,21-22H,5-11H2,1-4H3/t12-,13-,14+,16-,17+,18+,19-,20-/m0/s1
InChIKeyOSAXTPCZBXLUPQ-BQRZXHGPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (21922663)
ChEBI Ontology
Outgoing Relation(s)
Conidiogenone I (CHEBI:216647) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,3R,6R,9S,10S,11S,14R)-3-hydroxy-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecan-5-one
Manual XrefsDatabases
27025633ChemSpider