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CHEBI:224908 - Aphidicolin A48

ChEBI IDCHEBI:224908
ChEBI NameAphidicolin A48
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C=C1[C@H](O)[C@@H]3C[C@@]12CC[C@]3(O)CO
InChIInChI=1S/C20H32O4/c1-17(2)5-4-6-18(3)16(17)14(22)9-12-15(23)13-10-19(12,18)7-8-20(13,24)11-21/h9,13-16,21-24H,4-8,10-11H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKeySFYFCRSKCFIBEC-YNZDMMAESA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A48 (CHEBI:224908) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,7S,8S,11R,12S,13R)-13-(hydroxymethyl)-2,6,6-trimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-8,11,13-triol
Manual XrefsDatabases
78966215ChemSpider