input word = C00043029

Metabolite InformationStructural formula
Name Stephalonine I
(-)-Stephalonine I
Formula C27H31NO9
Mw 513.1998816
CAS RN 863712-28-1
C_ID C00043029 ,
InChIKey NXUYRQKDAKRDHU-HBMHZQFXNA-N
InChICode InChI=1S/C27H31NO9/c1-32-17-8-6-15-19-13-26-25(9-10-28-26,21(15)22(17)30)12-20(23(34-3)27(26,35-4)37-19)36-24(31)14-5-7-16(29)18(11-14)33-2/h5-8,11,19-20,23,28-30H,9-10,12-13H2,1-4H3/t19-,20-,23-,25-,26-,27-/m0/s1
SMILES COc1cc(C(=O)O[C@H]2C[C@]34CCN[C@@]35C[C@H](OC5(OC)[C@H]2OC)c2ccc(OC)c(O)c24)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania longa Ref.
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