input word = C00020028

Metabolite InformationStructural formula
Name Tortuoside
Formula C20H26O10
Mw 426.15259705
CAS RN 124727-02-2
C_ID C00020028 ,
InChIKey NXXWVYSMCQDTBE-FRNLQHPPNA-N
InChICode InChI=1S/C20H26O10/c1-20(2,30-19-17(27)16(26)15(25)12(8-21)28-19)13(23)7-10-11(22)5-3-9-4-6-14(24)29-18(9)10/h3-6,12-13,15-17,19,21-23,25-27H,7-8H2,1-2H3/t12-,13-,15+,16+,17-,19+/m1/s1
SMILES c12c(oc(=O)cc1)c(c(cc2)O)C[C@H](C(C)(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSeseli tortuosum Ref.
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