input word = C00011543

Metabolite InformationStructural formula
Name Aeginetoside
Formula C21H36O8
Mw 416.24101813
CAS RN 72896-58-3
C_ID C00011543 ,
InChIKey SKBMBFPVICVVBR-RGXVMANINA-N
InChICode InChI=1S/C21H36O8/c1-13(7-11-22)6-10-21(27)19(2,3)8-5-9-20(21,4)29-18-17(26)16(25)15(24)14(12-23)28-18/h6-7,10,14-18,22-27H,5,8-9,11-12H2,1-4H3/b10-6+,13-7+/t14-,15+,16-,17+,18-,20+,21+/m0/s1
SMILES CC(/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeAeginetia indica Ref.
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