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CHEBI:224922 - Aphidicolin A50

ChEBI IDCHEBI:224922
ChEBI NameAphidicolin A50
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1CC2=CC[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13C
InChIInChI=1S/C22H34O5/c1-14(24)27-13-22(26)9-8-21-11-16(22)10-15(21)4-5-17-19(2,12-23)18(25)6-7-20(17,21)3/h4,16-18,23,25-26H,5-13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22+/m1/s1
InChIKeyWXHHJRNXCOMIHI-ALHBQKHBSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A50 (CHEBI:224922) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6R,7R,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadec-9-enyl]methyl acetate
Manual XrefsDatabases
78966217ChemSpider