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CHEBI:211136 - 12-R-hydroxycyclocitrinol

ChEBI IDCHEBI:211136
ChEBI Name12-R-hydroxycyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
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]3C[C@@H](O)[C@]12C
InChIInChI=1S/C25H36O5/c1-14(26)8-9-24(2,30)22-7-6-20-19-12-21(28)16-10-15(4-5-17(27)11-16)18(19)13-23(29)25(20,22)3/h4,8-9,12,14,16-18,20,22-23,26-27,29-30H,5-7,10-11,13H2,1-3H3/b9-8+/t14-,16+,17+,18-,20+,22?,23-,24+,25+/m1/s1
InChIKeyAFQNOXKKFXOCEO-YXAHEXTRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
12-R-hydroxycyclocitrinol (CHEBI:211136) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,4R,5S,9S,13S,15S)-6-[(E,2S,5R)-2,5-dihydroxyhex-3-en-2-yl]-4,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
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78438509ChemSpider