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CHEBI:227214 - Isoasteltoxin

ChEBI IDCHEBI:227214
ChEBI NameIsoasteltoxin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCC[C@H]1O[C@@H]2O[C@H](/C=C/C=C\C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O
InChIInChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7-,11-9-,12-10+/t16-,18-,20+,21+,22+,23+/m1/s1
InChIKeyGPXPJKFETRLRAS-USSSIYHESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26697718)
ChEBI Ontology
Outgoing Relation(s)
Isoasteltoxin (CHEBI:227214) is a furofuran (CHEBI:47790)
IUPAC Name 
6-[(1Z,3Z,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
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78438867ChemSpider