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CHEBI:224743 - Aphidicolin A18

ChEBI IDCHEBI:224743
ChEBI NameAphidicolin A18
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O5
Net Charge0
Average Mass354.487
Monoisotopic Mass354.24062
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12[C@@H](O)C[C@]3(O)CO
InChIInChI=1S/C20H34O5/c1-17(10-21)14-4-3-12-7-13-8-20(12,16(24)9-19(13,25)11-22)18(14,2)6-5-15(17)23/h12-16,21-25H,3-11H2,1-2H3/t12-,13+,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKeyVEELXDNFXXZEBF-DIJFDWDISA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A18 (CHEBI:224743) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6R,7R,10S,12R,13R,15S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13,15-triol
Manual XrefsDatabases
78966185ChemSpider