input word = C00026672

Metabolite InformationStructural formula
Name Macrocarpine B
Formula C21H28N2O2
Mw 340.21507815
CAS RN 685508-25-2
C_ID C00026672 ,
InChIKey IYRQKBCVJYGVMJ-QAKJOQIWNA-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-/m0/s1
SMILES N1([C@@H]2c3c(c4c(n3C)cccc4)C[C@H]1[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 macrophylla Ref.
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OrganismAlstonia macrophylla
ReferenceKam,Tetrahedron,60,(2004),3957