input word = C00064094

Metabolite InformationStructural formula
Name Rebaudioside R
Formula C43H68O22
Mw 936.42022386
CAS RN 1931083-53-2
C_ID C00064094
InChIKey UFPKWQCGHPXDSK-MKMVQXBZSA-N
InChICode InChI=1S/C43H68O22/c1-17-11-42-9-5-22-40(2,7-4-8-41(22,3)39(57)64-37-32(56)29(53)26(50)21(14-46)61-37)23(42)6-10-43(17,16-42)65-38-34(63-36-31(55)28(52)25(49)20(13-45)60-36)33(18(47)15-58-38)62-35-30(54)27(51)24(48)19(12-44)59-35/h18-38,44-56H,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+,40-,41-,42-,43+/m1/s1
SMILES C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OCC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
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