input word = C00025209

Metabolite InformationStructural formula
Name Speciociliatine
Speciociliatin
Formula C23H30N2O4
Mw 398.22055746
CAS RN 14382-79-7
C_ID C00025209 ,
InChIKey LELBFTMXCIIKKX-MPJMNACHNA-N
InChICode InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19-/m1/s1
SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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