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 CC(C)(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@H](O)Cc1c(O)ccc2ccc(=O)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSeseli tortuosum Ref.
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