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CHEBI:224884 - Aphidicolin A43

ChEBI IDCHEBI:224884
ChEBI NameAphidicolin A43
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC=C1[C@H](O)[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O5/c1-17(10-21)14-4-3-12-16(24)13-9-19(12,7-8-20(13,25)11-22)18(14,2)6-5-15(17)23/h3,13-16,21-25H,4-11H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKeyDPQUBEJAXNNYGA-UYEYMFBJSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A43 (CHEBI:224884) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6R,7R,11R,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-5,11,13-triol
Manual XrefsDatabases
78966210ChemSpider