EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225049 - Aphidicolin A9

ChEBI IDCHEBI:225049
ChEBI NameAphidicolin A9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@]12CCC(=O)[C@@](C)(CO)[C@@H]1C(=O)C[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H30O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-13,16,21-22,25H,3-11H2,1-2H3/t12-,13-,16+,17-,18+,19+,20+/m1/s1
InChIKeyPHUJFVLOMOUZRH-QDYQMBSHSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A9 (CHEBI:225049) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,6R,7R,10R,12R,13R)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8-dione
Manual XrefsDatabases
78966176ChemSpider