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CHEBI:217802 - Conidiogenol B

ChEBI IDCHEBI:217802
ChEBI NameConidiogenol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESC[C@H]1[C@H](O)C[C@@H](O)[C@]2(C)CC[C@H]3[C@@H]4[C@@](C)(CO)CC[C@]4(C)C[C@]132
InChIInChI=1S/C20H34O3/c1-12-14(22)9-15(23)19(4)6-5-13-16-17(2,10-20(12,13)19)7-8-18(16,3)11-21/h12-16,21-23H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-/m0/s1
InChIKeyCKUSNMUHQVDMMP-KRXXDGGMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2017.12.045)
ChEBI Ontology
Outgoing Relation(s)
Conidiogenol B (CHEBI:217802) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,3R,5R,6R,9S,10S,11S,14R)-11-(hydroxymethyl)-2,6,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadecane-3,5-diol
Manual XrefsDatabases
64808840ChemSpider