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CHEBI:224961 - Aphidicolin A58

ChEBI IDCHEBI:224961
ChEBI NameAphidicolin A58
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC[C@]12COC3=C1[C@](C)(CC[C@H]2O)[C@]12CC[C@](O)(CO)[C@H](C[C@@H]1C3)C2
InChIInChI=1S/C20H30O4/c1-17-11-24-14-8-12-7-13-9-19(12,5-6-20(13,23)10-21)18(2,16(14)17)4-3-15(17)22/h12-13,15,21-23H,3-11H2,1-2H3/t12-,13-,15-,17-,18+,19+,20+/m1/s1
InChIKeyKVGFQYDNKYGNLD-DPFCVZRASA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A58 (CHEBI:224961) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6R,8R,13R,14R)-5-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-ene-5,14-diol
Manual XrefsDatabases
78966225ChemSpider