input word = C00010609

Metabolite InformationStructural formula
Name Swertiaside
Formula C23H28O12
Mw 496.15807636
CAS RN 96087-14-8
C_ID C00010609 ,
InChIKey BSMWQZICWPFTBG-VLUXAPOINA-N
InChICode InChI=1S/C23H28O12/c1-9-14(33-21(31)10-3-2-4-11(25)5-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15+,16+,17+,18-,19+,22+,23+/m0/s1
SMILES CC1C(OC(=O)c2cccc(O)c2)CC2C(C(=O)O)=COC(O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia japonica Ref.
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