input word = C00026075

Metabolite InformationStructural formula
Name Venenatine
(-)-Venenatine
Formula C22H28N2O4
Mw 384.2049074
CAS RN 1055-75-0
C_ID C00026075 ,
InChIKey WMMZYEBFJWWUJX-UEIKFJABNA-N
InChICode InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14-,16-,17-,20+/m1/s1
SMILES [C@H]12C[C@@H]3[C@@H](CN1CCc1c2[nH]c2c1c(ccc2)OC)CC[C@H]([C@H]3C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia venenata R.Br Ref.
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