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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