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Rebaudioside B

MNXM97604 is deprecated and here replaced by MNXM741758
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741758 Image of MNXM741758
referencehmdb:HMDB0034949
formulaC38H60O18
global charge0
mol weight804.88
InChIKeyDRSKVOAJKLUMCL-UHFFFAOYSA-N
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)
SMILESC=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)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? Image of MNXM741758
SMILES (mnx)[CH2:1]=[C:16]1[CH2:11][C:37]23[CH2:9][CH2:5][CH:20]4[C:35]([CH3:2])([CH2:7][CH2:4][CH2:8][C:36]4([CH3:3])[C:34](=[O:49])[OH:50])[CH:21]2[CH2:6][CH2:10][C:38]1([O:56][CH:33]1[CH:30]([O:55][CH:32]2[CH:28]([OH:48])[CH:26]([OH:46])[CH:23]([OH:43])[CH:18]([CH2:13][OH:40])[O:52]2)[CH:29]([O:54][CH:31]2[CH:27]([OH:47])[CH:25]([OH:45])[CH:22]([OH:42])[CH:17]([CH2:12][OH:39])[O:51]2)[CH:24]([OH:44])[CH: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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0034949
DRSKVOAJKLUMCL-UHFFFAOYSA-N 		Rebaudioside B
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
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
Stevioside a4

hmdb:HMDB34949 		secondary/obsolete/fantasy identifier