input word = C00025100

Metabolite InformationStructural formula
Name 6-Dihydroepistephamiersine 6-acetate
Formula C23H31NO7
Mw 433.21005235
CAS RN 57361-74-7
C_ID C00025100 ,
InChIKey SCWUZSBREAMJGL-UQBUDUBQNA-N
InChICode InChI=1S/C23H31NO7/c1-13(25)30-17-11-21-9-10-24(2)22(21)12-16(31-23(22,29-6)20(17)28-5)14-7-8-15(26-3)19(27-4)18(14)21/h7-8,16-17,20H,9-12H2,1-6H3/t16-,17-,20-,21-,22-,23-/m0/s1
SMILES c1c(c(c2c(c1)[C@H]1O[C@@]3([C@@]4([C@@]2(CCN4C)C[C@@H]([C@@H]3OC)OC(=O)C)C1)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania abyssinica Walp. Ref.
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