EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222149 - 20-O-methylcyclocitrinol

ChEBI IDCHEBI:222149
ChEBI Name20-O-methylcyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCO[C@@](C)(/C=C/[C@@H](C)O)C1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
InChIInChI=1S/C26H38O4/c1-16(27)9-12-26(3,30-4)24-8-7-22-21-15-23(29)18-13-17(5-6-19(28)14-18)20(21)10-11-25(22,24)2/h5,9,12,15-16,18-20,22,24,27-28H,6-8,10-11,13-14H2,1-4H3/b12-9+/t16-,18+,19+,20-,22+,24?,25+,26+/m1/s1
InChIKeyJLTZJSMHAJUVNI-FWYWDFRJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
20-O-methylcyclocitrinol (CHEBI:222149) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,5S,9R,13S,15S)-15-hydroxy-6-[(E,2S,5R)-5-hydroxy-2-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78437692ChemSpider