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 [C@@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1[C@H]2[C@H](C(=CO1)C(=O)O)C[C@H]([C@@H]2C)OC(=O)c1cc(ccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia japonica Ref.
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