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(20R)-ginsenoside Rg3

MNXM100970 is deprecated and here replaced by MNXM725958
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM725958

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

formula

C₄₂H₇₂O₁₃

charge

mass

784.49729

reference

chebi:67990

InChIKey

RWXIFXNRCLMQCD-CZIWJLDFSA-N

InChI

InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42+/m0/s1

SMILES

CC(C)=CCC[C@@](C)(O)[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67990 chebi:67990	(20R)-ginsenoside Rg3 (3beta,12beta,20R)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
metacyc.compound:CPD-15455 metacycM:CPD-15455 seed.compound:cpd34605 seedM:cpd34605	(20R)-ginsenoside Rg3 20(R)-propanaxidiol
hmdb:HMDB0039546	Ginsenoside Rg3 (20S)-Propanaxadiol 2-[(4,5-dihydroxy-2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 20(R)-Ginsenoside RG(3) 20(S)-Ginsenoside RG(3) 20S-Ginsenoside RG3 3-O-beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranosyldammar-24-ene-3beta,12beta,20S-triol Ginsenoside 20-RG3 Ginsenoside RG(3) Ginsenoside RG3 S-Ginsenoside RG3
hmdb:HMDB39546 seedM:M_cpd34605	secondary/obsolete/fantasy identifier