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CHEBI:206817 - Asteltoxin B

ChEBI IDCHEBI:206817
ChEBI NameAsteltoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O8
Net Charge0
Average Mass434.485
Monoisotopic Mass434.19407
SMILESCC[C@@H]1O[C@@H]2O[C@H]([C@H]3O[C@@H]3/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@]1(C)O
InChIInChI=1S/C23H30O8/c1-6-16-23(4,26)22(3)20(25)19(31-21(22)30-16)18-14(29-18)10-8-7-9-13-12(2)15(27-5)11-17(24)28-13/h7-11,14,16,18-21,25-26H,6H2,1-5H3/b9-7+,10-8+/t14-,16+,18+,19-,20+,21-,22+,23-/m1/s1
InChIKeyLXWVIYYOFQQIPY-GDQRHXMPSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSGAF 0076 (ncbitaxon:1500550) - DOI (10.1016/j.tet.2013.01.021)
ChEBI Ontology
Outgoing Relation(s)
Asteltoxin B (CHEBI:206817) is a furofuran (CHEBI:47790)
IUPAC Name 
6-[(1E,3E)-4-[(2R,3S)-3-[(2S,3S,3aR,4R,5S,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]oxiran-2-yl]buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one
Manual XrefsDatabases
29215477ChemSpider