Search MNXref
 Feedback

rebaudioside D

PropertiesImage
MNX_IDMNXM130257 Image of MNXM130257
referencechebi:145022
formulaC50H80O28
global charge0
mol weight1129.162
InChIKeyRPYRMTHVSUWHSV-CUZJHZIBSA-N
InChIInChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/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]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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1 Image of MNXM130257
SMILES (mnx)[CH2:1]=[C:18]1[CH2:11][C@@:49]23[CH2:9][CH2:5][C@H:24]4[C@@:47]([CH3:2])([CH2:7][CH2:4][CH2:8][C@@:48]4([CH3:3])[C:46](=[O:68])[O:77][C@H:44]4[C@H:39]([O:75][C@H:42]5[C@H:36]([OH:66])[C@@H:32]([OH:62])[C@H:27]([OH:57])[C@@H:20]([CH2:13][OH:52])[O:70]5)[C@@H:34]([OH:64])[C@H:29]([OH:59])[C@@H:22]([CH2:15][OH:54])[O:72]4)[C@@H:25]2[CH2:6][CH2:10][C@:50]1([O:78][C@H:45]1[C@H:40]([O:76][C@H:43]2[C@H:37]([OH:67])[C@@H:33]([OH:63])[C@H:28]([OH:58])[C@@H:21]([CH2:14][OH:53])[O:71]2)[C@@H:38]([O:74][C@H:41]2[C@H:35]([OH:65])[C@@H:31]([OH:61])[C@H:26]([OH:56])[C@@H:19]([CH2:12][OH:51])[O:69]2)[C@H:30]([OH:60])[C@@H:23]([CH2:16][OH:55])[O:73]1)[CH2:17]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145022
chebi:145022
RPYRMTHVSUWHSV-CUZJHZIBSA-N 		rebaudioside D
(-)-rebaudioside D
2-O-beta-D-glucopyranosyl-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose
Reb D
Reb-D
rebaudioside-D

lipidmaps:LMPR01040127
lipidmapsM:LMPR01040127
RPYRMTHVSUWHSV-CUZJHZIBSA-N 		Rebaudioside D
hmdb:HMDB0034948
RPYRMTHVSUWHSV-CUZJHZIBSA-N 		Rebaudioside D
4,5-Dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

hmdb:HMDB34948 		secondary/obsolete/fantasy identifier