input word = C00024512

Metabolite InformationStructural formula
Name Alalakine
Formula C25H32N2O5
Mw 440.23112215
CAS RN 68346-07-6
C_ID C00024512 ,
InChIKey HQYQBSZRFWKMBJ-UHFFFAOYNA-N
InChICode InChI=1S/C25H32N2O5/c1-4-15-14-31-22-20-16(12-17(29-2)21(22)30-3)24-9-11-26-10-5-7-23(8-6-18(24)27(15)20)13-19(28)32-25(23,24)26/h12,15,18H,4-11,13-14H2,1-3H3/t15-,18+,23+,24+,25-/m1/s1
SMILES c1(c(c2c3c(c1)[C@@]14[C@@H](N3[C@@H](CO2)CC)CC[C@@]23[C@@]1(N(CCC2)CC4)OC(=O)C3)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma album Ref.
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