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CHEBI:224932 - Aphidicolin A52

ChEBI IDCHEBI:224932
ChEBI NameAphidicolin A52
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1C[C@@H]3C[C@@]12CC[C@]3(O)C(=O)O
InChIInChI=1S/C20H30O5/c1-17(11-21)14-4-3-12-9-13-10-19(12,7-8-20(13,25)16(23)24)18(14,2)6-5-15(17)22/h3,13-15,21-22,25H,4-11H2,1-2H3,(H,23,24)/t13-,14+,15-,17+,18+,19+,20-/m1/s1
InChIKeyVZCNFBDSJFYVOH-SQFSKDKGSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A52 (CHEBI:224932) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-13-carboxylic acid
Manual XrefsDatabases
78966219ChemSpider