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CHEBI:224759 - Aphidicolin A20

ChEBI IDCHEBI:224759
ChEBI NameAphidicolin A20
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]2CC[C@H]1[C@](C)(CO)[C@H](O)C[C@@H](O)[C@@]13C
InChIInChI=1S/C22H36O6/c1-13(24)28-12-22(27)7-6-21-10-15(22)8-14(21)4-5-16-19(2,11-23)17(25)9-18(26)20(16,21)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20+,21-,22-/m0/s1
InChIKeyLAIHSBAQZMTLQU-XYHSRBMCSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A20 (CHEBI:224759) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,3R,5R,6R,7R,10S,12R,13R)-3,5,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966187ChemSpider