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CHEBI:203443 - Threo-23-O-methylneocyclocitrinol

ChEBI IDCHEBI:203443
ChEBI NameThreo-23-O-methylneocyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCO[C@@H](/C=C(\C)C1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C)[C@H](C)O
InChIInChI=1S/C26H38O4/c1-15(11-25(30-4)16(2)27)22-7-8-23-21-14-24(29)18-12-17(5-6-19(28)13-18)20(21)9-10-26(22,23)3/h5,11,14,16,18-20,22-23,25,27-28H,6-10,12-13H2,1-4H3/b15-11+/t16-,18-,19-,20+,22?,23-,25-,26+/m0/s1
InChIKeyKJZPRGNCDGAUNA-SBKWBWKESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18656987)
ChEBI Ontology
Outgoing Relation(s)
Threo-23-O-methylneocyclocitrinol (CHEBI:203443) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,5R,9R,13S,15S)-15-hydroxy-6-[(E,4S,5S)-5-hydroxy-4-methoxyhex-2-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78437016ChemSpider