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CHEBI:224787 - Aphidicolin A26

ChEBI IDCHEBI:224787
ChEBI NameAphidicolin A26
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]1CCC1=C[C@]3(O)C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O5/c1-16(11-21)14-4-3-13-9-20(25)10-18(13,7-8-19(20,24)12-22)17(14,2)6-5-15(16)23/h9,14-15,21-25H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKeyCHDOQMAWTUYFRS-DTMQFJJTSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A26 (CHEBI:224787) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,5R,6R,7R,12R,13S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,12,13-triol
Manual XrefsDatabases
78966193ChemSpider