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CHEBI:224966 - Aphidicolin A59

ChEBI IDCHEBI:224966
ChEBI NameAphidicolin A59
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC1=C2[C@](C)(CO1)[C@H](O)CC[C@@]23C
InChIInChI=1S/C22H32O5/c1-13(23)26-12-22(25)7-6-21-10-15(22)8-14(21)9-16-18-19(2,11-27-16)17(24)4-5-20(18,21)3/h14-15,17,24-25H,4-12H2,1-3H3/t14-,15-,17-,19-,20+,21+,22+/m1/s1
InChIKeySENHZXFMEPETDI-NCELFMROSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A59 (CHEBI:224966) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2S,5R,6R,8R,13R,14R)-5,14-dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl]methyl acetate
Manual XrefsDatabases
78966226ChemSpider