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 c1ccc2c(c1OC)[C@@]1(C(=O)N2)[C@H]2N(CC1)C[C@@H]([C@H](C2)/C(=C/OC)/C(=O)OC)C=C
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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