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CHEBI:225026 - Aphidicolin A69

ChEBI IDCHEBI:225026
ChEBI NameAphidicolin A69
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILESCC(=O)OCC1=C[C@H](O)C[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)COC(C)=O
InChIInChI=1S/C23H34O6/c1-14(24)28-12-16-8-19(26)11-21(3)20(16)5-4-17-9-18-10-22(17,21)6-7-23(18,27)13-29-15(2)25/h8,17-20,26-27H,4-7,9-13H2,1-3H3/t17-,18+,19-,20-,21-,22-,23-/m0/s1
InChIKeyMFGBRRYIFWHNIZ-KIYFCUGLSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A69 (CHEBI:225026) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,4R,7R,10S,12R,13R)-13-(acetyloxymethyl)-4,13-dihydroxy-2-methyl-6-tetracyclo[10.3.1.01,10.02,7]hexadec-5-enyl]methyl acetate
Manual XrefsDatabases
78966236ChemSpider