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CHEBI:224913 - Aphidicolin A49

ChEBI IDCHEBI:224913
ChEBI NameAphidicolin A49
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h3,14-16,21-24H,4-12H2,1-2H3/t14-,15+,16-,17+,18+,19+,20+/m1/s1
InChIKeyAOVRTCZFFWQNCK-SXWOMNNJSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A49 (CHEBI:224913) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-5,13-diol
Manual XrefsDatabases
78966216ChemSpider