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CHEBI:224792 - Aphidicolin A27

ChEBI IDCHEBI:224792
ChEBI NameAphidicolin A27
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@@H]3C[C@@]12[C@@H](O)C[C@]3(O)CO
InChIInChI=1S/C20H32O5/c1-17(10-21)14-4-3-12-7-13-8-20(12,16(24)9-19(13,25)11-22)18(14,2)6-5-15(17)23/h7,13-16,21-25H,3-6,8-11H2,1-2H3/t13-,14+,15-,16+,17+,18+,19+,20+/m1/s1
InChIKeyGQYCEVDLCYZRSU-PTHYOWMMSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A27 (CHEBI:224792) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6R,7R,12S,13R,15S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-5,13,15-triol
Manual XrefsDatabases
78966194ChemSpider