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CHEBI:224712 - Aphidicolin A12

ChEBI IDCHEBI:224712
ChEBI NameAphidicolin A12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2C[C@@H](O)[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C
InChIInChI=1S/C22H36O6/c1-13(24)28-12-22(27)7-6-21-10-15(22)8-14(21)9-16(25)18-19(2,11-23)17(26)4-5-20(18,21)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15-,16-,17-,18+,19-,20+,21+,22+/m1/s1
InChIKeyYYDRYRWTPMCVJM-SZYTVDRKSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A12 (CHEBI:224712) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6R,7R,8R,10R,12R,13R)-5,8,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966179ChemSpider