input word = C00001907

Metabolite InformationStructural formula
Name Psychotrine
Formula C28H36N2O4
Mw 464.26750765
CAS RN 7633-29-6
C_ID C00001907 ,
InChIKey NCALAYAMQHIWMN-RVRIBZLXNA-N
InChICode InChI=1S/C28H36N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,24,31H,5-11,16H2,1-4H3/t17-,20-,24-/m0/s1
SMILES c1(c(cc2c(c1)CCN1[C@H]2C[C@@H]([C@H](C1)CC)CC1=NCCc2c1cc(c(c2)O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaeCephaelis ipecacuanha Ref.
PlantaeRubiaceaePogonopus speciosus Ref.
--Allangium lamarckii Ref.
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OrganismPogonopus speciosus
ReferenceMa,J.Nat.Prod.,53,(1990),1009