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(20S)-ginsenoside Rb1

MNXM105360 is deprecated and here replaced by MNXM726318
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726318 Image of MNXM726318
referencechebi:67989
formulaC54H92O23
global charge0
mol weight1109.307
InChIKeyGZYPWOGIYAIIPV-JBDTYSNRSA-N
InChIInChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
SMILESCC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 Image of MNXM726318
SMILES (mnx)[CH3:1][C:23]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:54]([CH3:8])([C@H:24]1[CH2:11][CH2:16][C@:53]2([CH3:7])[C@@H:33]1[C@H:25]([OH:58])[CH2:18][C@@H:31]1[C@@:51]3([CH3:5])[CH2:15][CH2:13][C@H:32]([O:75][C@H:49]4[C@H:45]([O:76][C@H:47]5[C@H:43]([OH:68])[C@@H:39]([OH:64])[C@H:35]([OH:60])[C@@H:27]([CH2:20][OH:56])[O:72]5)[C@@H:41]([OH:66])[C@H:36]([OH:61])[C@@H:28]([CH2:21][OH:57])[O:73]4)[C:50]([CH3:3])([CH3:4])[C@@H:30]3[CH2:12][CH2:17][C@:52]12[CH3:6])[O:77][C@H:48]1[C@H:44]([OH:69])[C@@H:40]([OH:65])[C@H:37]([OH:62])[C@@H:29]([CH2:22][O:70][C@H:46]2[C@H:42]([OH:67])[C@@H:38]([OH:63])[C@H:34]([OH:59])[C@@H:26]([CH2:19][OH:55])[O:71]2)[O:74]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67989
chebi:67989
GZYPWOGIYAIIPV-JBDTYSNRSA-N 		(20S)-ginsenoside Rb1
(3beta,12beta)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
(3beta,12beta)-20-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
2-O-beta-glucopyranosyl-(3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-beta-D-glucopyranoside
20(S)-ginsenoside Rb1
GS-Rb1
GSRb1
arasaponin E1
ginsenoside Rb1
gynosaponin C
gypenoside III
panax saponin E
panaxsaponin E
pseudoginsenoside D
sanchinoside E1

seed.compound:cpd31292
seedM:cpd31292
kegg.compound:C20713
keggC:C20713
GZYPWOGIYAIIPV-JBDTYSNRSA-N 		Ginsenoside Rb1

lipidmaps:LMPR0106080013
lipidmapsM:LMPR0106080013
GZYPWOGIYAIIPV-JBDTYSNRSA-N 		Ginsenoside Rb1
20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12beta-hydroxydammar-24-en-3beta-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

seed.compound:cpd25618
seedM:cpd25618
GZYPWOGIYAIIPV-CLBVPCFJSA-N 		ginsenoside Rb1

metacyc.compound:CPD-9250
metacycM:CPD-9250
GZYPWOGIYAIIPV-JBDTYSNRSA-N 		ginsenoside Rb1
(20S)-ginsenoside Rb1
3beta-[beta-D-glucopyranosyl-(1->2)-beta-D glucopyranosyloxy]-20-[beta-D-glucopyranosyl-(1->2)-beta-D glucopyranosyloxy]dammar-24-en-12beta-ol
arasaponin E1
gynosaponin C
gypenoside III
panax saponin E
panaxsaponin E
pseudoginsenoside D
sanchinoside E1

keggC:M_C20713
seedM:M_cpd25618
seedM:M_cpd31292 		secondary/obsolete/fantasy identifier