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CHEBI:210679 - 24-O-methyl-24-epi-cyclocitrinol

ChEBI IDCHEBI:210679
ChEBI Name24-O-methyl-24-epi-cyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILESCO[C@@H](C)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C
InChIInChI=1S/C26H38O4/c1-16(30-4)9-12-26(3,29)24-8-7-22-21-15-23(28)18-13-17(5-6-19(27)14-18)20(21)10-11-25(22,24)2/h5,9,12,15-16,18-20,22,24,27,29H,6-8,10-11,13-14H2,1-4H3/b12-9+/t16-,18-,19-,20+,22-,24-,25-,26-/m0/s1
InChIKeyQTHFMXMBXVRQFK-KXNABNAZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2019.09.002)
ChEBI Ontology
Outgoing Relation(s)
24-O-methyl-24-epi-cyclocitrinol (CHEBI:210679) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,5S,6S,9R,13S,15S)-15-hydroxy-6-[(E,2S,5S)-2-hydroxy-5-methoxyhex-3-en-2-yl]-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
80564748ChemSpider