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CHEBI:224942 - Aphidicolin A54

ChEBI IDCHEBI:224942
ChEBI NameAphidicolin A54
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@H]3OC[C@@]4(O)CC[C@]12C[C@@H]34
InChIInChI=1S/C20H30O4/c1-17(10-21)14-4-3-12-16-13-9-19(12,7-8-20(13,23)11-24-16)18(14,2)6-5-15(17)22/h3,13-16,21-23H,4-11H2,1-2H3/t13-,14-,15+,16+,17-,18-,19-,20-/m0/s1
InChIKeyFEZMGCSWYJJOCN-YNXAUACVSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A54 (CHEBI:224942) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6R,7R,11S,14R,18S)-6-(hydroxymethyl)-2,6-dimethyl-12-oxapentacyclo[9.5.2.01,10.02,7.014,18]octadec-9-ene-5,14-diol
Manual XrefsDatabases
78966221ChemSpider