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CHEBI:224722 - Aphidicolin A14

ChEBI IDCHEBI:224722
ChEBI NameAphidicolin A14
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCC(=O)OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@@]13C
InChIInChI=1S/C22H34O6/c1-13(23)28-12-22(27)9-8-21-11-15(22)10-14(21)4-5-16-19(21,2)7-6-17(24)20(16,3)18(25)26/h14-17,24,27H,4-12H2,1-3H3,(H,25,26)/t14-,15+,16+,17+,19-,20-,21-,22-/m0/s1
InChIKeyIENPACSJMLTPMG-TWZWAVKWSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A14 (CHEBI:224722) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6S,7R,10S,12R,13R)-13-(acetyloxymethyl)-5,13-dihydroxy-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid
Manual XrefsDatabases
78966181ChemSpider