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CHEBI:226144 - Asteltoxin C

ChEBI IDCHEBI:226144
ChEBI NameAsteltoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILESCOc1cc(=O)oc(/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@](C)(O)[C@@]3(C)[C@H]2O)c1C
InChIInChI=1S/C22H28O7/c1-13-15(28-18(23)12-17(13)26-5)10-8-6-7-9-11-16-19(24)21(3)20(29-16)27-14(2)22(21,4)25/h6-12,14,16,19-20,24-25H,1-5H3/b7-6+,10-8+,11-9+/t14-,16-,19+,20-,21+,22+/m1/s1
InChIKeyDTHZYTRJZMDQLM-QWMBVKPUSA-N
Species of MetaboliteComponentSourceComments
Pochonia (ncbitaxon:243023) - PubMed (26120875)
ChEBI Ontology
Outgoing Relation(s)
Asteltoxin C (CHEBI:226144) is a furofuran (CHEBI:47790)
IUPAC Name 
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
Manual XrefsDatabases
29814025ChemSpider