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CHEBI:201673 - Precyclocitrinol B

ChEBI IDCHEBI:201673
ChEBI NamePrecyclocitrinol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESC/C=C/C1O[C@]1(C)C1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
InChIInChI=1S/C25H34O3/c1-4-5-23-25(3,28-23)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23?,24-,25+/m0/s1
InChIKeyQCMSHZCOLRBKOM-CVQVVLEXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
Precyclocitrinol B (CHEBI:201673) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,5S,9R,13S,15S)-15-hydroxy-5-methyl-6-[(2R)-2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
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78436768ChemSpider