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CHEBI:202390 - Avertoxin B

ChEBI IDCHEBI:202390
ChEBI NameAvertoxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILESCC[C@H]1O[C@@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC/C=C(\C)C(=O)OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O
InChIInChI=1S/C28H36O9/c1-7-22-28(5,32)27(4)24(30)20(36-26(27)37-22)13-11-9-8-10-12-19-18(3)21(16-23(29)35-19)34-15-14-17(2)25(31)33-6/h8-14,16,20,22,24,26,30,32H,7,15H2,1-6H3/b9-8+,12-10+,13-11+,17-14+/t20-,22-,24+,26+,27+,28+/m1/s1
InChIKeySVAOKUCSYGOWSM-KJQUAOOJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26618211)
ChEBI Ontology
Outgoing Relation(s)
Avertoxin B (CHEBI:202390) is a furofuran (CHEBI:47790)
IUPAC Name 
methyl (E)-4-[2-[(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]-3-methyl-6-oxopyran-4-yl]oxy-2-methylbut-2-enoate
Manual XrefsDatabases
58910238ChemSpider