Search MNXref
 Feedback

limonin 17-beta-D-glucoside

PropertiesImage
MNX_IDMNXM3298 Image of MNXM3298
referencechebi:57626
formulaC32H41O14
global charge-1
mol weight649.666
InChIKeyFYIKIBQJAJRKQM-WNCNYDOCSA-M
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)/p-1/t15-,16+,17+,19+,21-,22+,23-,24+,25-,27+,29+,30+,31-,32-/m1/s1
SMILESCC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@](C)([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=COC=C4)[C@@]4(O[C@@H]4C(=O)[O-])[C@]2(C)C(=O)C[C@@H]13
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM3298
SMILES (mnx)[CH3:1][C:28]1([CH3:2])[C@@H:17]2[CH2:9][C:18](=[O:34])[C@:30]3([CH3:4])[C@H:16]([CH2:5][CH2:7][C@@:29]([CH3:3])([C@H:24]([C:14]4=[CH:12][O:41][CH:8]=[CH:6]4)[O:44][C@H:27]4[C@H:23]([OH:38])[C@@H:22]([OH:37])[C@H:21]([OH:36])[C@@H:15]([CH2:11][OH:33])[O:43]4)[C@:32]34[C@@H:25]([C:26](=[O:39])[OH:40])[O:46]4)[C@:31]23[CH2:13][O:42][C:20](=[O:35])[CH2:10][C@@H:19]3[O:45]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57626
chebi:57626
FYIKIBQJAJRKQM-WNCNYDOCSA-M 		limonin 17-beta-D-glucoside
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-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'-carboxylate
limonin 17-beta-D-glucoside anion
limonin 17-beta-D-glucoside(1-)

kegg.compound:C06740
keggC:C06740
FYIKIBQJAJRKQM-WNCNYDOCSA-N 		Glucosyl-limonin
Limonin 17-O-beta-D-glucoside

seed.compound:cpd12897
seedM:cpd12897
FYIKIBQJAJRKQM-WNCNYDOCSA-M 		Glucosyl-limonin
Limonin 17-beta-D-glucoside
glucosyl-limonin
limonin 17-beta-D-glucoside
hmdb:HMDB0304700
FYIKIBQJAJRKQM-WNCNYDOCSA-N 		Linalool (8-hydroxydihydro-)
(1'R,2R,2'R,3S,5'S,7'R,10'R,13'S)-5'-[(R)-(furan-3-yl)({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadecane]-3-carboxylic acid
(1'R,2R,2'R,3S,5'S,7'R,10'R,13'S)-5'-[(R)-furan-3-yl({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-5',7',11',11'-tetramethyl-8',15'-dioxo-12',16'-dioxaspiro[oxirane-2,6'-tetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadecane]-3-carboxylic acid
Glucosyl-limonin
Limonin 17-b-D-glucopyranoside
Limonin 17-b-D-glucoside
Limonin 17-beta-D-glucopyranoside
Limonin 17-beta-D-glucoside
b-D-Glucosyl-limonin
beta-D-Glucosyl-limonin
beta-D-glucosyl-limonin

CHEBI:16063
chebi:16063
FYIKIBQJAJRKQM-WNCNYDOCSA-N 		limonin 17-beta-D-glucoside
(3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-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
Glucosyl-limonin
Limonin 17-beta-D-glucopyranoside
Limonin 17-beta-D-glucoside
beta-D-glucosyl-limonin

metacyc.compound:GLUCOSYL-LIMONIN
metacycM:GLUCOSYL-LIMONIN
FYIKIBQJAJRKQM-WNCNYDOCSA-N 		limonin 17-beta-D-glucoside
glucosyl-limonin

chebi:14315
chebi:24283
chebi:5419
keggC:M_C06740
seedM:M_cpd12897 		secondary/obsolete/fantasy identifier