input word = C00063912

Metabolite InformationStructural formula
Name 3-Dehydropaynantheine
Formula C23H26N2O4.H
Mw 395.19708237
CAS RN 1499174-72-9
C_ID C00063912
InChIKey VJJLRVDUFIKWCM-LEKKXJIISA-O
InChICode InChI=1S/C23H26N2O4/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/h5-8,13-14,16H,1,9-12H2,2-4H3/p+1/b17-13+/t14-,16-/m0/s1
SMILES C=CC1CN2CCC3=c4c(OC)cccc4=NC3=C2CC1C(=COC)C(=O)OC.[H+]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna diversifolia Ref.
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