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CHEBI:224737 - Aphidicolin A17

ChEBI IDCHEBI:224737
ChEBI NameAphidicolin A17
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1C[C@H](O)[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)C(=O)O
InChIInChI=1S/C20H32O6/c1-17(10-21)14-8-13(22)12-7-11-9-19(12,5-6-20(11,26)16(24)25)18(14,2)4-3-15(17)23/h11-15,21-23,26H,3-10H2,1-2H3,(H,24,25)/t11-,12-,13+,14+,15-,17+,18+,19+,20-/m1/s1
InChIKeyYFJBAACUEPSUJF-JAIVQAHASA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A17 (CHEBI:224737) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,9S,10S,12R,13R)-5,9,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-13-carboxylic acid
Manual XrefsDatabases
78966184ChemSpider