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CHEBI:207916 - 24-epi-cyclocitrinol

ChEBI IDCHEBI:207916
ChEBI Name24-epi-cyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESC[C@H](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/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-FBHGWYSSSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
24-epi-cyclocitrinol (CHEBI:207916) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,5S,9R,13S,15S)-6-[(E,5S)-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
78437345ChemSpider