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CHEBI:18370 - 7-deoxyloganin

ChEBI IDCHEBI:18370
ChEBI Name7-deoxyloganin
Stars
Secondary ChEBI IDsCHEBI:4418, CHEBI:12255
Last Modified3 March 2015
DownloadsMolfile
FormulaC17H26O9
Net Charge0
Average Mass374.386
Monoisotopic Mass374.15768
SMILES[H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3/t7-,8+,10+,11+,12+,13-,14+,16-,17-/m0/s1
InChIKeyKMHXLGLJTQHEIM-OUEWTLASSA-N
ChEBI Ontology
Outgoing Relation(s)
7-deoxyloganin (CHEBI:18370) has functional parent loganin (CHEBI:15771)
7-deoxyloganin (CHEBI:18370) is a methyl ester (CHEBI:25248)
7-deoxyloganin (CHEBI:18370) is a α,β-unsaturated carboxylic ester (CHEBI:51737)
7-deoxyloganin (CHEBI:18370) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
gardenoside (CHEBI:5277) has functional parent 7-deoxyloganin (CHEBI:18370)
IUPAC Name 
methyl (1S,4aS,7S,7aR)-1-(β-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Synonyms  Source
DeoxyloganinKEGG COMPOUND
7-DeoxyloganinKEGG COMPOUND
UniProt Name  Source
7-deoxyloganinUniProt
Manual XrefsDatabases
C06071KEGG COMPOUND
C00003077KNApSAcK
Registry NumbersSources
CAS:26660-57-1KEGG COMPOUND