input word = C00003485

Metabolite InformationStructural formula
Name Stevioside
Formula C38H60O18
Mw 804.37796512
CAS RN 57817-89-7
C_ID C00003485 ,
InChIKey UEDUENGHJMELGK-YVOWDKJBNA-N
InChICode InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26-,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
SMILES C1C[C@]([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@](CC1)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=C)C3)C)(C(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium rebaudianum Ref.
PlantaeAsteraceaeStevia rebaudiana Ref.
PlantaeRosaceaeRubus suavissimus Ref.
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OrganismRubus suavissimus
ReferenceWang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)