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stigmasteryl 3-beta-D-glucoside

MNXM109049 is deprecated and here replaced by MNXM484455
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM484455 Image of MNXM484455
referencechebi:68383
formulaC35H58O6
global charge0
mol weight574.843
InChIKeyVWDLOXMZIGUBKM-AUGXRQBFSA-N
InChIInChI=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
SMILESCC[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@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM484455
SMILES (mnx)[CH3:1][CH2:7][C@H:22](/[CH:9]=[CH:8]/[C@@H:21]([CH3:4])[C@H:26]1[CH2:12][CH2:13][C@H:27]2[C@@H:25]3[CH2:11][CH:10]=[C:23]4[CH2:18][C@@H:24]([O:40][C@H:33]5[C@H:32]([OH:39])[C@@H:31]([OH:38])[C@H:30]([OH:37])[C@@H:29]([CH2:19][OH:36])[O:41]5)[CH2:14][CH2:16][C@:34]4([CH3:5])[C@H:28]3[CH2:15][CH2:17][C@:35]12[CH3:6])[CH:20]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68383
chebi:68383
VWDLOXMZIGUBKM-AUGXRQBFSA-N 		stigmasteryl 3-beta-D-glucoside
(3beta,22E)-stigmasta-5,22-dien-3-yl beta-D-glucopyranoside
stigmasterol 3-O-beta-D-glucoside

seed.compound:cpd23019
seedM:cpd23019
VWDLOXMZIGUBKM-AUGXRQBFSA-N 		3-O-beta-D-glucopyranosylstigmasterol
stigma-5,22-dien-3-beta-D-glucopyranoside
stigmasterol 3-O-beta-D-glucopyranoside
stigmasterol 3-O-beta-D-glucoside
hmdb:HMDB0034419
VWDLOXMZIGUBKM-AUGXRQBFSA-N 		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
(3beta,22E)-Stigmasta-5,22-dien-3-yl beta-D-glucopyranoside
3-O-beta-D-Glucopyranosyl-beta-stigmasterol
3-O-beta-D-Glucopyranosylstigmasterol
Stigma-5,22-dien-3-beta-D-glucopyranoside
Stigmasta-5,22-diene-3-O-beta-D-glucopyranoside
Stigmasterol 3-O-b-D-glucoside
Stigmasterol 3-O-beta-D-glucoside
Stigmasterol 3-O-glucoside
Stigmasterol 3-b-D-glucoside
Stigmasterol 3-beta-D-glucopyranoside
Stigmasterol 3-beta-D-glucoside
Stigmasterol O-glucoside
Stigmasterol beta-D-glucopyranoside
Stigmasterol beta-D-glucoside
Stigmasterol beta-glucopyranoside
Stigmasterol glucoside
Stigmasterol-beta-D-glucoside
Stigmasteryl 3-b-D-glucoside
Stigmasteryl 3-beta-D-glucoside
Stigmasteryl D-glucoside
Stigmasteryl beta-D-glucopyranoside
Stigmasteryl beta-glucoside
beta-Stigmasteryl 3-O-beta-D-glucopyranoside
delta5-Stigmasterol 3-O-beta-D-glucopyranoside

lipidmaps:LMST01040204
lipidmapsM:LMST01040204
VWDLOXMZIGUBKM-AUGXRQBFSA-N 		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
VWDLOXMZIGUBKM-AUGXRQBFSA-N 		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
seedM:M_cpd23019 		secondary/obsolete/fantasy identifier