Search MNXref
 Feedback

rebaudioside B

PropertiesImage
MNX_IDMNXM741759 Image of MNXM741759
referencechebi:145013
formulaC38H59O18
global charge-1
mol weight803.872
InChIKeyDRSKVOAJKLUMCL-MMUIXFKXSA-M
InChIInChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/p-1/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]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/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/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 MNXM741759
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:49])[OH:50])[C@@H:21]2[CH2:6][CH2:10][C@:38]1([O:56][C@H:33]1[C@H:30]([O:55][C@H:32]2[C@H:28]([OH:48])[C@@H:26]([OH:46])[C@H:23]([OH:43])[C@@H:18]([CH2:13][OH:40])[O:52]2)[C@@H:29]([O:54][C@H:31]2[C@H:27]([OH:47])[C@@H:25]([OH:45])[C@H:22]([OH:42])[C@@H:17]([CH2:12][OH:39])[O:51]2)[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)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145013
chebi:145013
DRSKVOAJKLUMCL-MMUIXFKXSA-M 		rebaudioside B
13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate
rebaudioside B anion
rebaudioside B(1-)
stevioside a4(1-)

lipidmaps:LMPR01040125
lipidmapsM:LMPR01040125
DRSKVOAJKLUMCL-MMUIXFKXSA-N 		Rebaudioside B

metacyc.compound:CPD-14507
metacycM:CPD-14507
seed.compound:cpd35095
seedM:cpd35095
DRSKVOAJKLUMCL-MMUIXFKXSA-M 		rebaudioside B

CHEBI:229537
chebi:229537
DRSKVOAJKLUMCL-MMUIXFKXSA-N 		rebaudioside B
(4alpha)-13-[(O-beta-D-Glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid
13alpha-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid
13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid
Reb B
stevioside a4

seedM:M_cpd35095 		secondary/obsolete/fantasy identifier