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CHEBI:224717 - Aphidicolin A13

ChEBI IDCHEBI:224717
ChEBI NameAphidicolin A13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@](C)(CO)[C@H](O)CC[C@@]13CO
InChIInChI=1S/C22H36O6/c1-14(25)28-13-22(27)8-7-20-10-16(22)9-15(20)3-4-17-19(2,11-23)18(26)5-6-21(17,20)12-24/h15-18,23-24,26-27H,3-13H2,1-2H3/t15-,16+,17-,18+,19-,20-,21+,22-/m0/s1
InChIKeyJVAKWTVGVJCPDU-CDKGFNLYSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A13 (CHEBI:224717) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2R,5R,6R,7R,10S,12R,13R)-5,13-dihydroxy-2,6-bis(hydroxymethyl)-6-methyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966180ChemSpider