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nuatigenin 3-beta-D-glucopyranoside

PropertiesImage
MNX_IDMNXM4744 Image of MNXM4744
referencechebi:15575
formulaC33H52O9
global charge0
mol weight592.77
InChIKeyQJEQHVALLZCTGC-HPNIRRCESA-N
InChIInChI=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
SMILESC[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@]23C)O[C@]12CC[C@@](C)(CO)O2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4744
SMILES (mnx)[CH3:1][C@H:17]1[C@H:25]2[C@H:23]([CH2:14][C@H:22]3[C@@H:20]4[CH2:6][CH:5]=[C:18]5[CH2:13][C@@H:19]([O:39][C@H:29]6[C@H:28]([OH:38])[C@@H:27]([OH:37])[C@H:26]([OH:36])[C@@H:24]([CH2:15][OH:34])[O:40]6)[CH2:7][CH2:9][C@:31]5([CH3:3])[C@H:21]4[CH2:8][CH2:10][C@@:32]32[CH3:4])[O:41][C@:33]12[CH2:12][CH2:11][C@@:30]([CH3:2])([CH2:16][OH:35])[O:42]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15575
chebi:15575
QJEQHVALLZCTGC-HPNIRRCESA-N 		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

seed.compound:cpd02953
seedM:cpd02953
QJEQHVALLZCTGC-HPNIRRCESA-N 		(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
QJEQHVALLZCTGC-HPNIRRCESA-N 		(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-beta,26-diol 3-o-beta-D-glucoside

kegg.compound:C04859
keggC:C04859
QJEQHVALLZCTGC-HPNIRRCESA-N 		Nuatigenin 3beta-D-glucopyranoside
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside

lipidmaps:LMST01090002
lipidmapsM:LMST01090002
QJEQHVALLZCTGC-HPNIRRCESA-N 		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