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CHEBI:224732 - Aphidicolin A16

ChEBI IDCHEBI:224732
ChEBI NameAphidicolin A16
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]2[C@H](O)C[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C
InChIInChI=1S/C22H36O6/c1-13(24)28-12-22(27)7-6-21-10-14(22)8-15(21)16(25)9-17-19(2,11-23)18(26)4-5-20(17,21)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+/m1/s1
InChIKeyFGOOUQABRLKGMJ-GZJWPCPGSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A16 (CHEBI:224732) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6R,7R,9R,10S,12R,13R)-5,9,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966183ChemSpider