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CHEBI:5944 - Inumakilactone A glycoside

ChEBI IDCHEBI:5944
ChEBI NameInumakilactone A glycoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H30O13
Net Charge0
Average Mass526.491
Monoisotopic Mass526.16864
SMILES[H][C@@]12O[C@]1([H])[C@H](O)[C@]1(C)C(=O)O[C@]3([H])[C@H]4O[C@@]45C(=CC(=O)O[C@]5([H])[C@H](C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]2(C)[C@]13[H]
InChIInChI=1S/C24H30O13/c1-6(32-20-12(29)11(28)10(27)7(5-25)33-20)17-24-8(4-9(26)34-17)22(2)15-13(19(24)37-24)36-21(31)23(15,3)16(30)14-18(22)35-14/h4,6-7,10-20,25,27-30H,5H2,1-3H3/t6-,7+,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20+,22+,23+,24+/m0/s1
InChIKeyQGWDZDZECYBAPW-KPCMHIKZSA-N
ChEBI Ontology
Outgoing Relation(s)
Inumakilactone A glycoside (CHEBI:5944) is a organic heterotricyclic compound (CHEBI:26979)
Inumakilactone A glycoside (CHEBI:5944) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Inumakilactone A glycosideKEGG COMPOUND
Manual XrefsDatabases
C09114KEGG COMPOUND
C00003441KNApSAcK
Registry NumbersSources
CAS:37850-48-9KEGG COMPOUND