Rebaudioside E

Properties Image MNX_ID MNXM130258 reference hmdb:HMDB0034946 formula C44H70O23 global charge 0 mol weight 967.021 InChIKey RLLCWNUIHGPAJY-UHFFFAOYSA-N InChI InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3 SMILES C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3 MNX internals InChI (mnx) InChI=1/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,41?,42?,43?,44? SMILES (mnx) [CH2:1]=[C:17]1[CH2:11][C:43]23[CH2:9][CH2:5][CH:22]4[C:41]([CH3:2])([CH2:7][CH2:4][CH2:8][C:42]4([CH3:3])[C:40](=[O:59])[O:66][CH:38]4[CH:34]([O:64][CH:36]5[CH:32]([OH:57])[CH:28]([OH:53])[CH:24]([OH:49])[CH:18]([CH2:12][OH:45])[O:60]5)[CH:30]([OH:55])[CH:26]([OH:51])[CH:20]([CH2:14][OH:47])[O:62]4)[CH:23]2[CH2:6][CH2:10][C:44]1([O:67][CH:39]1[CH:35]([O:65][CH:37]2[CH:33]([OH:58])[CH:29]([OH:54])[CH:25]([OH:50])[CH:19]([CH2:13][OH:46])[O:61]2)[CH:31]([OH:56])[CH:27]([OH:52])[CH:21]([CH2:15][OH:48])[O:63]1)[CH2:16]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0