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CHEBI:224957 - Aphidicolin A57

ChEBI IDCHEBI:224957
ChEBI NameAphidicolin A57
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC=C1[C@H]3OC[C@@]4(O)CC[C@]12C[C@@H]34
InChIInChI=1S/C20H30O3/c1-17(11-21)6-3-7-18(2)15(17)5-4-13-16-14-10-19(13,18)8-9-20(14,22)12-23-16/h4,14-16,21-22H,3,5-12H2,1-2H3/t14-,15-,16+,17-,18-,19-,20-/m0/s1
InChIKeyYARBQVCUKLTNEP-DSWGTCOTSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A57 (CHEBI:224957) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,6R,7R,11S,14R,18S)-6-(hydroxymethyl)-2,6-dimethyl-12-oxapentacyclo[9.5.2.01,10.02,7.014,18]octadec-9-en-14-ol
Manual XrefsDatabases
78966224ChemSpider