EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217791 - Conidiogenone J

ChEBI IDCHEBI:217791
ChEBI NameConidiogenone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@@H]1C=CC(=O)[C@@]2(C)CC[C@@H]3[C@H]4[C@](C)(CO)CC[C@@]4(CO)C[C@@]132
InChIInChI=1S/C20H30O3/c1-13-4-5-15(23)18(3)7-6-14-16-17(2,11-21)8-9-19(16,12-22)10-20(13,14)18/h4-5,13-14,16,21-22H,6-12H2,1-3H3/t13-,14-,16+,17+,18-,19+,20-/m1/s1
InChIKeyQCCMWEYJBJLQPQ-ZIOUMKLRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2017.12.045)
ChEBI Ontology
Outgoing Relation(s)
Conidiogenone J (CHEBI:217791) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,6S,9R,10S,11R,14R)-11,14-bis(hydroxymethyl)-2,6,11-trimethyltetracyclo[7.6.0.01,6.010,14]pentadec-3-en-5-one
Manual XrefsDatabases
64808838ChemSpider