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(20S)-ginsenoside Rg1

Properties

Image

Occurences in reactions

MNX_ID

MNXM105363

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₄₂H₇₂O₁₄

charge

mass

801.024

reference

chebi:67987

InChIKey

YURJSTAIMNSZAE-HHNZYBFYSA-N

InChI

InChI=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

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67987 chebi:67987	(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
hmdb:HMDB0035857	Ginsenoside A2 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol Ginsenoside RG1 Panaxoside a Sanchinoside C1
kegg.compound:C08946 keggC:C08946	Ginsenoside Rg1 (20S)-Ginsenoside Rg1 Sanchinoside C1
seed.compound:cpd05842 seedM:cpd05842	Sanchinoside C1 Ginsenoside Rg1 ginsenoside Rg1
metacyc.compound:CPD-15445 metacycM:CPD-15445	ginsenoside Rg1
hmdb:HMDB35857 chebi:5361 keggC:M_C08946 seedM:M_cpd05842	secondary/obsolete/fantasy identifier