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CHEBI:224904 - Aphidicolin A47

ChEBI IDCHEBI:224904
ChEBI NameAphidicolin A47
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1[C@@H](O)C2=CC[C@H]1[C@](C)(CO)CCC[C@@]13C
InChIInChI=1S/C22H34O5/c1-14(24)27-13-22(26)10-9-21-11-16(22)18(25)15(21)5-6-17-19(2,12-23)7-4-8-20(17,21)3/h5,16-18,23,25-26H,4,6-13H2,1-3H3/t16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKeyQFBYYXGJRJFYQU-CPDXTSBQSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A47 (CHEBI:224904) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2S,6R,7R,11R,12S,13R)-11,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadec-9-enyl]methyl acetate
Manual XrefsDatabases
78966214ChemSpider