input word = C00027068

Metabolite InformationStructural formula
Name N(4)-Methyl-N(4),21-seco-talpinine
N(4)-Methyl-N(4),21-secotalpinine
N-Methyl-4,21-secotalpinine
Formula C21H28N2O2
Mw 340.21507815
CAS RN 16101-12-5
C_ID C00027068 ,
InChIKey IYRQKBCVJYGVMJ-UHFFFAOYNA-N
InChICode InChI=1S/C21H28N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,12,14,16-17,19-20,24H,8-11H2,1-3H3/t12-,14+,16-,17-,19-,20-/m1/s1
SMILES c1ccc2c(c1)c1c(n2C)[C@@H]2N([C@H](C1)[C@H]1[C@@H](C2)[C@@H]([C@H](OC1)C)CO)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
PlantaeApocynaceaeAlstonia macrophylla Ref.
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