input word = C00036968

Metabolite InformationStructural formula
Name Cuminoside B
Formula C21H32O9
Mw 428.20463262
CAS RN 597565-59-8
C_ID C00036968 ,
InChIKey DJFCYKZFNVNTAZ-WYLWTGPONA-N
InChICode InChI=1S/C21H32O9/c1-8-4-5-12(23)21(3)13(6-10-9(2)19(27)30-18(10)14(8)21)29-20-17(26)16(25)15(24)11(7-22)28-20/h4,9-18,20,22-26H,5-7H2,1-3H3/t9-,10+,11-,12+,13+,14+,15-,16+,17-,18+,20?,21+/m1/s1
SMILES [C@H]12[C@@H](C[C@@H]([C@]3([C@H]1C(=CC[C@@H]3O)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCuminum cymimum L Ref.
PlantaeApiaceaeCuminum cyminum Ref.
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