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(20R)-ginsenoside Rg3

MNXM100970 is deprecated and here replaced by MNXM725958
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM725958 Image of MNXM725958
referencechebi:67990
formulaC42H72O13
global charge0
mol weight785.025
InChIKeyRWXIFXNRCLMQCD-CZIWJLDFSA-N
InChIInChI=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
SMILESCC(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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM725958
SMILES (mnx)[CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:14][C@:42]([CH3:8])([C@H:22]1[CH2:11][CH2:16][C@:41]2([CH3:7])[C@@H:29]1[C@H:23]([OH:45])[CH2:18][C@@H:27]1[C@@:39]3([CH3:5])[CH2:15][CH2:13][C@H:28]([O:54][C@H:37]4[C@H:35]([O:55][C@H:36]5[C@H:34]([OH:50])[C@@H:32]([OH:48])[C@H:30]([OH:46])[C@@H:24]([CH2:19][OH:43])[O:52]5)[C@@H:33]([OH:49])[C@H:31]([OH:47])[C@@H:25]([CH2:20][OH:44])[O:53]4)[C:38]([CH3:3])([CH3:4])[C@@H:26]3[CH2:12][CH2:17][C@:40]12[CH3:6])[OH:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67990
chebi:67990
RWXIFXNRCLMQCD-CZIWJLDFSA-N 		(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
RWXIFXNRCLMQCD-CZIWJLDFSA-N 		(20R)-ginsenoside Rg3
20(R)-propanaxidiol

CHEBI:182139
chebi:182139
RWXIFXNRCLMQCD-FGRCLSQZSA-N 		(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0039546
RWXIFXNRCLMQCD-UHFFFAOYSA-N 		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