input word = C00001849

Metabolite InformationStructural formula
Name Emetine
Formula C29H40N2O4
Mw 480.29880778
CAS RN 483-18-1
C_ID C00001849 ,
InChIKey AUVVAXYIELKVAI-PCBPFIOTNA-N
InChICode InChI=1S/C29H40N2O4/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/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
SMILES c1c(c(cc2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@H]1NCCc2c1cc(c(c2)OC)OC)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera helix Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium longiflorum Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaeCephaelis ipecacuanha Ref.
PlantaeRubiaceaePsychotria burucana Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
PlantaeRubiaceaePsychotria klugii Ref.
--Carapichea affinis Ref.
--Cephalis acuminata Ref.
--Cephalis ipecacuanha Ref.
--Uragoga ipecacuanha Ref.
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