CHEBI:18370 - 7-deoxyloganin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-deoxyloganin
ChEBI ID CHEBI:18370
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12255, CHEBI:4418
Supplier Information
Download Molfile XML SDF
Formula C17H26O9
Net Charge 0
Average Mass 374.38290
Monoisotopic Mass 374.158
InChI InChI=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
InChIKey KMHXLGLJTQHEIM-OUEWTLASSA-N
SMILES [H][C@]12CC[C@H](C)[C@@]1([H])[C@@H](OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 7-deoxyloganin (CHEBI:18370) has functional parent loganin (CHEBI:15771)
7-deoxyloganin (CHEBI:18370) is a α,β-unsaturated carboxylic ester (CHEBI:51737)
7-deoxyloganin (CHEBI:18370) is a β-D-glucoside (CHEBI:22798)
7-deoxyloganin (CHEBI:18370) is a methyl ester (CHEBI:25248)
Incoming 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 Sources
7-Deoxyloganin KEGG COMPOUND
7-deoxyloganin UniProt
Deoxyloganin KEGG COMPOUND
Manual Xrefs Databases
C00003077 KNApSAcK
C06071 KEGG COMPOUND
View more database links
Registry Number Type Source
26660-57-1 CAS Registry Number KEGG COMPOUND
Last Modified
03 March 2015