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 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21
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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OrganismHedera helix
ReferenceChang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Wang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986).