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CHEBI:202060 - (+)-Cyclocitrinol

ChEBI IDCHEBI:202060
ChEBI Name(+)-Cyclocitrinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESCC(O)/C=C/C(C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
InChIInChI=1S/C25H36O4/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/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15?,17-,18-,19+,21-,23-,24-,25?/m0/s1
InChIKeyQZAMIRPHNVBTIV-MVCGSXMESA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - PubMed (14602008)
ChEBI Ontology
Outgoing Relation(s)
(+)-Cyclocitrinol (CHEBI:202060) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,5S,6S,9R,13S,15S)-6-[(E)-2,5-dihydroxyhex-3-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78436809ChemSpider