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CHEBI:225031 - Aphidicolin A70

ChEBI IDCHEBI:225031
ChEBI NameAphidicolin A70
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
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)CO
InChIInChI=1S/C21H32O5/c1-13(23)26-11-14-7-17(24)10-19(2)18(14)4-3-15-8-16-9-20(15,19)5-6-21(16,25)12-22/h7,15-18,22,24-25H,3-6,8-12H2,1-2H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKeyYCJCQOJMBQQSIB-TVWVXWENSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A70 (CHEBI:225031) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,4R,7R,10S,12R,13R)-4,13-dihydroxy-13-(hydroxymethyl)-2-methyl-6-tetracyclo[10.3.1.01,10.02,7]hexadec-5-enyl]methyl acetate
Manual XrefsDatabases
78966237ChemSpider