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CHEBI:224947 - Aphidicolin A55

ChEBI IDCHEBI:224947
ChEBI NameAphidicolin A55
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESC[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1[C@H](O)C=C1[C@H]3OC[C@@]4(O)CC[C@]12C[C@@H]34
InChIInChI=1S/C20H30O5/c1-17(9-21)14(23)3-4-18(2)16(17)13(22)7-11-15-12-8-19(11,18)5-6-20(12,24)10-25-15/h7,12-16,21-24H,3-6,8-10H2,1-2H3/t12-,13+,14+,15+,16-,17+,18-,19-,20-/m0/s1
InChIKeyPLSJWYGUXJQOHV-RVBLSUJCSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A55 (CHEBI:224947) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6R,7R,8R,11S,14R,18S)-6-(hydroxymethyl)-2,6-dimethyl-12-oxapentacyclo[9.5.2.01,10.02,7.014,18]octadec-9-ene-5,8,14-triol
Manual XrefsDatabases
78966222ChemSpider