input word = C00025212

Metabolite InformationStructural formula
Name Specionoxeine
Formula C23H28N2O5
Mw 412.19982202
CAS RN 18002-99-8
C_ID C00025212 ,
InChIKey ZOHPCWYGEAMIIF-QPVVWSFBNA-N
InChICode InChI=1S/C23H28N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)21(26)30-4)20-17(24-22(23)27)7-6-8-18(20)29-3/h5-8,13-15,19H,1,9-12H2,2-4H3,(H,24,27)/b16-13-/t14-,15-,19-,23-/m0/s1
SMILES C=C[C@H]1CN2CC[C@]3(C(=O)Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna brunonis Craib Ref.
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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