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CHEBI:224986 - Aphidicolin A62

ChEBI IDCHEBI:224986
ChEBI NameAphidicolin A62
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC(=O)OC[C@@]1(O)C[C@H](O)[C@]23C[C@H]1C[C@@H]2CC1=C2[C@](C)(CO1)[C@H](O)CC[C@@]23C
InChIInChI=1S/C22H32O6/c1-12(23)27-11-21(26)9-17(25)22-8-14(21)6-13(22)7-15-18-19(2,10-28-15)16(24)4-5-20(18,22)3/h13-14,16-17,24-26H,4-11H2,1-3H3/t13-,14-,16-,17+,19-,20+,21+,22+/m1/s1
InChIKeyFYTXFCKYSOMLOO-WQPCRZSMSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A62 (CHEBI:224986) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,3S,5R,6R,8R,13R,14R)-3,5,14-trihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-en-5-yl]methyl acetate
Manual XrefsDatabases
78966229ChemSpider