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stigmasteryl 3-beta-D-glucoside

MNXM109049 is deprecated and here replaced by MNXM726643
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM726643

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₅H₅₈O₆

charge

mass

574.42334

reference

chebi:68383

InChIKey

VWDLOXMZIGUBKM-AUGXRQBFSA-N

InChI

InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1

SMILES

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68383 chebi:68383	stigmasteryl 3-beta-D-glucoside (3beta,22E)-stigmasta-5,22-dien-3-yl beta-D-glucopyranoside stigmasterol 3-O-beta-D-glucoside
hmdb:HMDB0034419	Stigmasteryl glucoside (2R,3R,4S,5S,6R)-2-{[(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol Stigmasterol 3-O-b-D-glucoside Stigmasterol 3-O-beta-D-glucoside Stigmasterol glucoside Stigmasterol-beta-D-glucoside
lipidmaps:LMST01040204 lipidmapsM:LMST01040204	Stigmasteryl glucoside (3beta)-stigmast-5,22E-dien-3-yl D-glucopyranoside 3-O-(beta-D-glucopyranosyl)-stigmast-5,22E-dien-3beta-ol Hex O ST 29:2 Stigmasterol glucoside Stigmasteryl beta-D-glucoside
metacyc.compound:CPD-11606 metacycM:CPD-11606	stigmasterol 3-O-beta-D-glucoside 3-O-beta-D-glucopyranosylstigmasterol stigma-5,22-dien-3-beta-D-glucopyranoside stigmasterol 3-O-beta-D-glucopyranoside
hmdb:HMDB34419	secondary/obsolete/fantasy identifier