EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203384 - Aspergiloid C

ChEBI IDCHEBI:203384
ChEBI NameAspergiloid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESC=Cc1c(C)ccc2c1C[C@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@]21C
InChIInChI=1S/C20H28O2/c1-6-13-12(2)7-8-15-14(13)11-16(21)18-19(3,4)10-9-17(22)20(15,18)5/h6-8,16-18,21-22H,1,9-11H2,2-5H3/t16-,17+,18-,20-/m0/s1
InChIKeySXPGGKMOOGHQJR-DMUMMCEESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22196792)
ChEBI Ontology
Outgoing Relation(s)
Aspergiloid C (CHEBI:203384) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,4aS,10S,10aS)-8-ethenyl-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4,10-diol
Manual XrefsDatabases
78439659ChemSpider