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CHEBI:224748 - Aphidicolin A19

ChEBI IDCHEBI:224748
ChEBI NameAphidicolin A19
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCC(=O)OC[C@@]1(O)C[C@H](O)[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C
InChIInChI=1S/C22H36O6/c1-13(24)28-12-21(27)10-18(26)22-9-15(21)8-14(22)4-5-16-19(2,11-23)17(25)6-7-20(16,22)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21-,22-/m0/s1
InChIKeyFGEIITSMDNIICS-HUHIERMHSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A19 (CHEBI:224748) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,5R,6R,7R,10S,12R,13R,15S)-5,13,15-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966186ChemSpider