input word = C00001848

Metabolite InformationStructural formula
Name Emetamine
Formula C29H36N2O4
Mw 476.26750765
CAS RN 483-19-2
C_ID C00001848 ,
InChIKey MBYXEBXZARTUSS-YFKZULHBNA-N
InChICode InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1
SMILES c1c(c(cc2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)Cc1nccc2c1cc(c(c2)OC)OC)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaeCephaelis ipecacuanha Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
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