EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224980 - Aphidicolin A61

ChEBI IDCHEBI:224980
ChEBI NameAphidicolin A61
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@]12COC3=C1[C@](C)(CC[C@H]2O)[C@@]12C[C@@H](C[C@@H]1C3)[C@@](O)(CO)[C@H](O)C2
InChIInChI=1S/C20H30O5/c1-17-10-25-13-6-11-5-12-7-19(11,8-15(23)20(12,24)9-21)18(2,16(13)17)4-3-14(17)22/h11-12,14-15,21-24H,3-10H2,1-2H3/t11-,12-,14-,15-,17-,18+,19-,20+/m1/s1
InChIKeyGRRHJKOIPPMPMZ-KDQFZURESA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A61 (CHEBI:224980) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,4R,5R,6R,8R,13R,14R)-5-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-ene-4,5,14-triol
Manual XrefsDatabases
78966228ChemSpider