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CHEBI:16063 - limonin 17-β-D-glucoside

ChEBI IDCHEBI:16063
ChEBI Namelimonin 17-β-D-glucoside
Stars
ASCII Namelimonin 17-beta-D-glucoside
Secondary ChEBI IDsCHEBI:5419, CHEBI:14315, CHEBI:24283
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H42O14
Net Charge0
Average Mass650.674
Monoisotopic Mass650.25746
SMILES[H][C@]12CC[C@@](C)([C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccoc3)[C@@]3(O[C@@H]3C(=O)O)[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@@]3([H])CC(=O)OC[C@@]213
InChIInChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1
InChIKeyFYIKIBQJAJRKQM-WNCNYDOCSA-N
ChEBI Ontology
Outgoing Relation(s)
limonin 17-β-D-glucoside (CHEBI:16063) has functional parent limonin (CHEBI:16226)
limonin 17-β-D-glucoside (CHEBI:16063) is a β-D-glucoside (CHEBI:22798)
limonin 17-β-D-glucoside (CHEBI:16063) is conjugate acid of limonin 17-β-D-glucoside(1−) (CHEBI:57626)
Incoming Relation(s)
limonin 17-β-D-glucoside(1−) (CHEBI:57626) is conjugate base of limonin 17-β-D-glucoside (CHEBI:16063)
IUPAC Name 
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(β-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid
Synonyms  Source
Glucosyl-limoninKEGG COMPOUND
Limonin 17-beta-D-glucopyranosideChemIDplus
β-D-glucosyl-limoninChEBI
Limonin 17-beta-D-glucosideKEGG COMPOUND
Manual XrefsDatabases
C06740KEGG COMPOUND
Registry NumbersSources
Beilstein:4899426Beilstein
CAS:123564-61-4ChemIDplus