input word = C00025516

Metabolite InformationStructural formula
Name Lanitine
2alpha-hydroxy-N-methylparavallarine
Formula C23H35NO3
Mw 373.26169399
CAS RN 30452-63-2
C_ID C00025516 ,
InChIKey QHMLSDSMAKJEBA-MIFRQWMONA-N
InChICode InChI=1S/C23H35NO3/c1-13-16-7-8-18-15-6-5-14-11-19(24(3)4)20(25)12-22(14,2)17(15)9-10-23(16,18)21(26)27-13/h5,13,15-20,25H,6-12H2,1-4H3/t13-,15+,16+,17-,18-,19+,20+,22-,23-/m0/s1
SMILES [C@@H]1([C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@@]12[C@H]3CC[C@@H]1[C@@H](OC2=O)C)N(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKibatalia gitingensis Ref.
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