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(20S)-ginsenoside Rg1

PropertiesImage
MNX_IDMNXM105363 Image of MNXM105363
referencechebi:67987
formulaC42H72O14
global charge0
mol weight801.024
InChIKeyYURJSTAIMNSZAE-HHNZYBFYSA-N
InChIInChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
SMILESCC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[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(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
MNX internals
InChI (mnx)InChI=1/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 Image of MNXM105363
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:13][C@@:42]([CH3:8])([C@H:21]1[CH2:11][CH2:15][C@:40]2([CH3:6])[C@@H:28]1[C@H:22]([OH:45])[CH2:16][C@@H:26]1[C@@:39]3([CH3:5])[CH2:14][CH2:12][C@H:27]([OH:46])[C:38]([CH3:3])([CH3:4])[C@@H:35]3[C@@H:23]([O:53][C@H:36]3[C@H:33]([OH:51])[C@@H:31]([OH:49])[C@H:29]([OH:47])[C@@H:24]([CH2:18][OH:43])[O:54]3)[CH2:17][C@:41]12[CH3:7])[O:56][C@H:37]1[C@H:34]([OH:52])[C@@H:32]([OH:50])[C@H:30]([OH:48])[C@@H:25]([CH2:19][OH:44])[O:55]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67987
chebi:67987
YURJSTAIMNSZAE-HHNZYBFYSA-N 		(20S)-ginsenoside Rg1
(3beta,6alpha,12beta)-3,12-dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
(3beta,alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl beta-D-glucopyranoside
Ginsenoside A2
Ginsenoside Rg1
Panaxoside A
Panaxoside Rg1
Rg1
Sanchinoside C1
Sanchinoside Rg1
ginsenoside Rg1

kegg.compound:C08946
keggC:C08946
YURJSTAIMNSZAE-HHNZYBFYSA-N 		Ginsenoside Rg1
(20S)-Ginsenoside Rg1
Sanchinoside C1

lipidmaps:LMPR0106080011
lipidmapsM:LMPR0106080011
YURJSTAIMNSZAE-HHNZYBFYSA-N 		Ginsenoside Rg1
3beta,12beta-dihydroxydammar-24-ene-6alpha,20-diyl bis-beta-D-glucopyranoside
Ginsenoside A2
Panaxoside A
Panaxoside Rg1
Sanchinoside C1
Sanchinoside Rg1

seed.compound:cpd05842
seedM:cpd05842
YURJSTAIMNSZAE-HHNZYBFYSA-N 		Sanchinoside C1
Ginsenoside Rg1
ginsenoside Rg1

metacyc.compound:CPD-15445
metacycM:CPD-15445
YURJSTAIMNSZAE-HHNZYBFYSA-N 		ginsenoside Rg1

chebi:5361
keggC:M_C08946
seedM:M_cpd05842 		secondary/obsolete/fantasy identifier