input word = C00031913

Metabolite InformationStructural formula
Name Isospecionoxeine
Formula C23H28N2O5
Mw 412.19982202
CAS RN 18003-00-4
C_ID C00031913 ,
InChIKey ZOHPCWYGEAMIIF-SSZFMOIBNA-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-/m1/s1
SMILES C=CC1CN2CCC3(C(=O)Nc4cccc(OC)c43)C2CC1/C(=C/OC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna africanus WILLD. Ref.
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