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CHEBI:224990 - Aphidicolin A63

ChEBI IDCHEBI:224990
ChEBI NameAphidicolin A63
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC[C@]12COC3=C1[C@](C)(CCC2=O)[C@]12CC[C@](O)(CO)[C@H](C[C@@H]1C3)C2
InChIInChI=1S/C20H28O4/c1-17-11-24-14-8-12-7-13-9-19(12,5-6-20(13,23)10-21)18(2,16(14)17)4-3-15(17)22/h12-13,21,23H,3-11H2,1-2H3/t12-,13-,17-,18+,19+,20+/m1/s1
InChIKeySVMMZVBQPDGNTN-NLXTZRDGSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A63 (CHEBI:224990) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6R,8R,13R)-5-hydroxy-5-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-14-one
Manual XrefsDatabases
78966230ChemSpider