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CHEBI:218548 - Avertoxin A

ChEBI IDCHEBI:218548
ChEBI NameAvertoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILESCC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OCC=C(C)C)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O
InChIInChI=1S/C27H36O7/c1-7-22-27(6,30)26(5)24(29)20(33-25(26)34-22)13-11-9-8-10-12-19-18(4)21(16-23(28)32-19)31-15-14-17(2)3/h8-14,16,20,22,24-25,29-30H,7,15H2,1-6H3/b9-8+,12-10+,13-11+/t20-,22-,24+,25+,26+,27+/m1/s1
InChIKeyXRHRBPSOJYHQQK-KOFRSBIISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26618211)
ChEBI Ontology
Outgoing Relation(s)
Avertoxin A (CHEBI:218548) is a furofuran (CHEBI:47790)
IUPAC Name 
6-[(1E,3E,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]-5-methyl-4-(3-methylbut-2-enoxy)pyran-2-one
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58910237ChemSpider