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nuatigenin 3-beta-D-glucopyranoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM4744

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₃H₅₂O₉

charge

mass

592.36113

reference

chebi:15575

InChIKey

QJEQHVALLZCTGC-HPNIRRCESA-N

InChI

InChI=1S/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-/m0/s1

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@](C)(CO)O2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15575 chebi:15575	nuatigenin 3-beta-D-glucopyranoside (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside (20S,22S,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3beta-yl beta-D-glucopyranoside (22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3beta-yl beta-D-glucopyranoside
kegg.compound:C04859 keggC:C04859	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
seed.compound:cpd02953 seedM:cpd02953	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside (20S,22S,25S)-22,25-epoxyfurost-5-ene-3-beta,26-diol 3-o-beta-D-glucoside
metacyc.compound:20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE metacycM:20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE	(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-beta,26-diol 3-o-beta-D-glucoside
lipidmaps:LMST01090002 lipidmapsM:LMST01090002	nuatigenin 3-beta-D-glucopyranoside (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside (20S,22S,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3beta-yl beta-D-glucopyranoside (20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside (22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3beta-yl beta-D-glucopyranoside Hex O4 ST 27:3
chebi:10851 chebi:175 chebi:18530 chebi:57420 keggC:M_C04859 seedM:M_cpd02953	secondary/obsolete/fantasy identifier