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stevioside

MNXM12958 is deprecated and here replaced by MNXM727897
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727897 Image of MNXM727897
referencechebi:9271
formulaC38H60O18
global charge0
mol weight804.88
InChIKeyUEDUENGHJMELGK-HYDKPPNVSA-N
InChIInChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
SMILESC=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3
MNX internals
InChI (mnx)InChI=1/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 Image of MNXM727897
SMILES (mnx)[CH2:1]=[C:16]1[CH2:11][C@@:37]23[CH2:9][CH2:5][C@H:20]4[C@@:35]([CH3:2])([CH2:7][CH2:4][CH2:8][C@@:36]4([CH3:3])[C:34](=[O:50])[O:55][C@H:32]4[C@H:29]([OH:49])[C@@H:26]([OH:46])[C@H:23]([OH:43])[C@@H:18]([CH2:13][OH:40])[O:52]4)[C@@H:21]2[CH2:6][CH2:10][C@:38]1([O:56][C@H:33]1[C@H:30]([O:54][C@H:31]2[C@H:28]([OH:48])[C@@H:25]([OH:45])[C@H:22]([OH:42])[C@@H:17]([CH2:12][OH:39])[O:51]2)[C@@H:27]([OH:47])[C@H:24]([OH:44])[C@@H:19]([CH2:14][OH:41])[O:53]1)[CH2:15]3
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:9271
chebi:9271
UEDUENGHJMELGK-HYDKPPNVSA-N 		stevioside
1-O-{13alpha-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl}-beta-D-glucopyranose
13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid beta-D-glucopyranosyl ester
steviosin

seed.compound:cpd33865
seedM:cpd33865
UEDUENGHJMELGK-HYDKPPNVSA-N 		13-[(2-O-.beta.-D-Glucopyranosyl-.alpha.-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid .beta.-D-glucopyranosyl ester
stevioside

seed.compound:cpd06085
seedM:cpd06085
kegg.compound:C09189
keggC:C09189
UEDUENGHJMELGK-HYDKPPNVSA-N 		Stevioside
hmdb:HMDB0034945
UEDUENGHJMELGK-HYDKPPNVSA-N 		Stevioside
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9S,10R,13S)-13-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylate
1,2-Stevioside
13-[(2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]kaur-16-en-18-Oate b-D-glucopyranosyl ester
13-[(2-O-b-D-Glucopyranosyl-b-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid b-D-glucopyranosyl ester
13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oate beta-D-glucopyranosyl ester
13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid beta-D-glucopyranosyl ester
13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oate beta-D-glucopyranosyl ester
13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-Oic acid beta-D-glucopyranosyl ester
Steviol glycoside
Steviosin

lipidmaps:LMPR01040119
lipidmapsM:LMPR01040119
UEDUENGHJMELGK-HYDKPPNVSA-N 		Stevioside
13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-kaur-16-en-18-oic acid, (4alpha)-beta-D-glucopyranosyl ester

metacyc.compound:CPD-14504
metacycM:CPD-14504
UEDUENGHJMELGK-HYDKPPNVSA-N 		stevioside
13-[(2-O-.beta.-D-Glucopyranosyl-.alpha.-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid .beta.-D-glucopyranosyl ester

hmdb:HMDB34945
keggC:M_C09189
seedM:M_cpd06085
seedM:M_cpd33865 		secondary/obsolete/fantasy identifier