CHEBI:5944 - Inumakilactone A glycoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Inumakilactone A glycoside
ChEBI ID CHEBI:5944
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H30O13
Net Charge 0
Average Mass 526.488
Monoisotopic Mass 526.16864
InChI InChI=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
InChIKey QGWDZDZECYBAPW-KPCMHIKZSA-N
SMILES C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O
ChEBI Ontology
Outgoing 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 glycoside KEGG COMPOUND
Manual Xrefs Databases
C00003441 KNApSAcK
C09114 KEGG COMPOUND
View more database links
Registry Number Type Source
37850-48-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014