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CHEBI:208228 - Asteltoxin D

ChEBI IDCHEBI:208228
ChEBI NameAsteltoxin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCOc1cc(=O)oc(/C=C/C=C/[C@H]2O[C@H]3[C@H](O[C@H]4O[C@H](C)[C@](C)(O)[C@]43C)[C@@H]2O)c1C
InChIInChI=1S/C22H28O8/c1-11-13(28-16(23)10-15(11)26-5)8-6-7-9-14-17(24)18-19(29-14)21(3)20(30-18)27-12(2)22(21,4)25/h6-10,12,14,17-20,24-25H,1-5H3/b8-6+,9-7+/t12-,14-,17-,18-,19+,20-,21+,22+/m1/s1
InChIKeyAVOLRKQPXXFPLF-WMBDBGTCSA-N
Species of MetaboliteComponentSourceComments
Pochonia (ncbitaxon:243023) - PubMed (26120875)
ChEBI Ontology
Outgoing Relation(s)
Asteltoxin D (CHEBI:208228) is a furofuran (CHEBI:47790)
IUPAC Name 
6-[(1E,3E)-4-[(1R,2R,4R,5R,6R,8S,10R,11R)-5,11-dihydroxy-1,10,11-trimethyl-3,7,9-trioxatricyclo[6.3.0.02,6]undecan-4-yl]buta-1,3-dienyl]-4-methoxy-5-methylpyran-2-one
Manual XrefsDatabases
78437358ChemSpider