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CHEBI:205073 - Avertoxin D

ChEBI IDCHEBI:205073
ChEBI NameAvertoxin D
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)c4c(c3C)O[C@H](C)C4(C)C)[C@H](O)[C@]2(C)[C@@]1(C)O
InChIInChI=1S/C27H36O7/c1-8-19-27(7,30)26(6)22(28)18(33-24(26)34-19)14-12-10-9-11-13-17-15(2)21-20(23(29)32-17)25(4,5)16(3)31-21/h9-14,16,18-19,22,24,28,30H,8H2,1-7H3/b10-9+,13-11+,14-12+/t16-,18-,19-,22+,24+,26+,27+/m1/s1
InChIKeyXEVKZSAFNVBSSK-JXCILBJESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26618211)
ChEBI Ontology
Outgoing Relation(s)
Avertoxin D (CHEBI:205073) is a furofuran (CHEBI:47790)
IUPAC Name 
(2R)-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]-2,3,3,7-tetramethyl-2H-uro[3,2-c]pyran-4-one
Manual XrefsDatabases
58910240ChemSpider