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CHEBI:204840 - Norcyclocitrinol A

ChEBI IDCHEBI:204840
ChEBI NameNorcyclocitrinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O4
Net Charge0
Average Mass374.521
Monoisotopic Mass374.24571
SMILESC[C@]12CC[C@@H]3C4=CC[C@H](O)C[C@H](C4)C(=O)C=C3[C@@H]1CC[C@@H]2[C@@](C)(O)CCO
InChIInChI=1S/C23H34O4/c1-22-8-7-17-14-3-4-16(25)12-15(11-14)20(26)13-18(17)19(22)5-6-21(22)23(2,27)9-10-24/h3,13,15-17,19,21,24-25,27H,4-12H2,1-2H3/t15-,16-,17+,19-,21-,22-,23-/m0/s1
InChIKeyBPJRZPAHXODCEI-LKVXINCTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201300153)
ChEBI Ontology
Outgoing Relation(s)
Norcyclocitrinol A (CHEBI:204840) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(2R,5S,6S,9R,13S,15S)-6-[(2S)-2,4-dihydroxybutan-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78441023ChemSpider