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CHEBI:224899 - Aphidicolin A46

ChEBI IDCHEBI:224899
ChEBI NameAphidicolin A46
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC=C1[C@H](O)[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O4/c1-17(11-21)6-3-7-18(2)15(17)5-4-13-16(23)14-10-19(13,18)8-9-20(14,24)12-22/h4,14-16,21-24H,3,5-12H2,1-2H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyHEZQTJICTKZYRG-RBZZARIASA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A46 (CHEBI:224899) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,6R,7R,11R,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-11,13-diol
Manual XrefsDatabases
78966213ChemSpider