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CHEBI:224929 - Aphidicolin A51

ChEBI IDCHEBI:224929
ChEBI NameAphidicolin A51
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=O)OC[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C22H34O5/c1-14(24)27-13-19(2)17-5-4-15-10-16-11-21(15,8-9-22(16,26)12-23)20(17,3)7-6-18(19)25/h4,16-18,23,25-26H,5-13H2,1-3H3/t16-,17+,18-,19+,20+,21+,22+/m1/s1
InChIKeyWQTFWVCETRQASJ-ALHBQKHBSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A51 (CHEBI:224929) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6R,7R,12R,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-6-tetracyclo[10.3.1.01,10.02,7]hexadec-9-enyl]methyl acetate
Manual XrefsDatabases
78966218ChemSpider