EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224995 - Aphidicolin A64

ChEBI IDCHEBI:224995
ChEBI NameAphidicolin A64
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC[C@@]12CCC[C@@]3(C)C1=C(C[C@H]1C[C@@H]4C[C@@]13[C@@H](O)C[C@]4(O)CO)OC2
InChIInChI=1S/C20H30O4/c1-17-4-3-5-18(2)16(17)14(24-11-17)7-12-6-13-8-20(12,18)15(22)9-19(13,23)10-21/h12-13,15,21-23H,3-11H2,1-2H3/t12-,13-,15+,17+,18+,19+,20+/m1/s1
InChIKeyIFKUIJZGXPLIFR-MIZKFENWSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A64 (CHEBI:224995) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,3S,5R,6R,8R,13R)-5-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-ene-3,5-diol
Manual XrefsDatabases
78966231ChemSpider