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(25S)-5beta-spirostan-3beta-yl beta-D-glucoside

MNXM4166 is deprecated and here replaced by MNXM735809
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735809 Image of MNXM735809
referencechebi:15579
formulaC33H54O8
global charge0
mol weight578.787
InChIKeyZNEIIZNXGCIAAL-TXUJEBAWSA-N
InChIInChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
SMILESC[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[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@]3(C)[C@H]1[C@@H]2C
MNX internals
InChI (mnx)InChI=1/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1 Image of MNXM735809
SMILES (mnx)[CH3:1][C@H:17]1[CH2:7][CH2:12][C@@:33]2([C@@H:18]([CH3:2])[C@H:26]3[C@H:24]([CH2:14][C@H:23]4[C@@H:21]5[CH2:6][CH2:5][C@@H:19]6[CH2:13][C@@H:20]([O:39][C@H:30]7[C@H:29]([OH:37])[C@@H:28]([OH:36])[C@H:27]([OH:35])[C@@H:25]([CH2:15][OH:34])[O:40]7)[CH2:8][CH2:10][C@:31]6([CH3:3])[C@H:22]5[CH2:9][CH2:11][C@@:32]43[CH3:4])[O:41]2)[O:38][CH2:16]1
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:15579
chebi:15579
ZNEIIZNXGCIAAL-TXUJEBAWSA-N 		(25S)-5beta-spirostan-3beta-yl beta-D-glucoside
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
(25S)-5beta-spirostan-3beta-ol 3-O-beta-D-glucoside
(25S)-5beta-spirostan-3beta-yl beta-D-glucopyranoside
asparagoside A

seed.compound:cpd02872
seedM:cpd02872
ZNEIIZNXGCIAAL-TXUJEBAWSA-N 		(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
(25S)-5-beta-spirostan-3-beta-ol 3-0-beta-D-glucoside
Asparagoside A

seed.compound:cpd21981
seedM:cpd21981
ZNEIIZNXGCIAAL-TXUJEBAWSA-N 		(25S)-5beta-spirostan-3beta-ol 3-O-beta-D- glucoside

metacyc.compound:25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET
metacycM:25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET
ZNEIIZNXGCIAAL-TXUJEBAWSA-N 		(25S)-5beta-spirostan-3beta-ol 3-O-beta-D- glucoside
(25S)-5-beta-spirostan-3-beta-ol 3-0-beta-D-glucoside

kegg.compound:C08886
keggC:C08886
ZNEIIZNXGCIAAL-TXUJEBAWSA-N 		Asparagoside A
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside

chebi:10855
chebi:179
chebi:18538
keggC:M_C08886
seedM:M_cpd02872
seedM:M_cpd21981 		secondary/obsolete/fantasy identifier