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CHEBI:207292 - 24-oxocyclocitrinol

ChEBI IDCHEBI:207292
ChEBI Name24-oxocyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC(=O)/C=C/[C@](C)(O)C1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
InChIInChI=1S/C25H34O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14,17-19,21,23,27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t17-,18-,19+,21-,23?,24-,25-/m0/s1
InChIKeyWOZMJGMMXWPGLC-USHLVXFWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
24-oxocyclocitrinol (CHEBI:207292) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,5S,9R,13S,15S)-15-hydroxy-6-[(E,2S)-2-hydroxy-5-oxohex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78437887ChemSpider