input word = C00002217

Metabolite InformationStructural formula
Name Cinegalline
Formula C23H30N2O6
Mw 430.21038671
CAS RN 20772-38-7
C_ID C00002217 ,
InChIKey WCNNCIUCJFPASX-JCSVEHSYNA-N
InChICode InChI=1S/C23H30N2O6/c1-30-22-19(26)8-13(9-20(22)27)23(29)31-16-5-6-24-11-14-7-15(18(24)10-16)12-25-17(14)3-2-4-21(25)28/h8-9,14-18,26-27H,2-7,10-12H2,1H3/t14-,15-,16-,17+,18-/m0/s1
SMILES C1CC(=O)N2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CC[C@@H](C2)OC(=O)c1cc(c(c(c1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGenista cinerea Ref.
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