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glucosyl-limonin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3298

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₂H₄₁O₁₄

charge

-1

mass

649.25018

reference

chebi:57626

InChIKey

FYIKIBQJAJRKQM-WNCNYDOCSA-M

InChI

InChI=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

SMILES

CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@](C)([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccoc2)[C@@]12O[C@@H]2C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57626 chebi:57626	glucosyl-limonin (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	Glucosyl-limonin Limonin 17-beta-D-glucoside
seed.compound:cpd12897 seedM:cpd12897	Glucosyl-limonin Limonin 17-beta-D-glucoside glucosyl-limonin limonin 17-beta-D-glucoside
CHEBI:16063 chebi:16063	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	limonin 17-beta-D-glucoside glucosyl-limonin
chebi:14315 chebi:24283 chebi:5419 keggC:M_C06740 seedM:M_cpd12897	secondary/obsolete/fantasy identifier