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CHEBI:224859 - Aphidicolin A39

ChEBI IDCHEBI:224859
ChEBI NameAphidicolin A39
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@@]1(C(=O)O)[C@H](O)CC[C@@]2(C)[C@H]1CCC1=C[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H30O5/c1-17-6-5-15(22)18(2,16(23)24)14(17)4-3-12-9-13-10-19(12,17)7-8-20(13,25)11-21/h9,13-15,21-22,25H,3-8,10-11H2,1-2H3,(H,23,24)/t13-,14-,15-,17+,18+,19+,20+/m1/s1
InChIKeyBUHBLMJCWYBYOC-KLEXHFHZSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A39 (CHEBI:224859) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6S,7R,12S,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-6-carboxylic acid
Manual XrefsDatabases
78966206ChemSpider