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CHEBI:200612 - 23-O-methylantineocyclocitrinol

ChEBI IDCHEBI:200612
ChEBI Name23-O-methylantineocyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCO[C@@H](/C=C(/C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C)C(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-FNIUEBJCSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (24633254)
ChEBI Ontology
Outgoing Relation(s)
23-O-methylantineocyclocitrinol (CHEBI:200612) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,5R,6R,9R,13S,15S)-15-hydroxy-6-[(Z,4S)-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
78440831ChemSpider