input word = C00025191

Metabolite InformationStructural formula
Name Mitrajavine
Formula C22H26N2O4
Mw 382.18925733
CAS RN 13062-04-9
C_ID C00025191 ,
InChIKey QXSGZNGSUBCBAZ-UOTSLFTINA-N
InChICode InChI=1S/C22H26N2O4/c1-12-15-10-24-8-7-13-20-17(5-4-6-19(20)26-2)23-21(13)18(24)9-14(15)16(11-28-12)22(25)27-3/h4-6,11-12,14-15,18,23H,7-10H2,1-3H3/t12-,14-,15+,18+/m0/s1
SMILES COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cccc(OC)c45)[C@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna hirsuta Havil Ref.
PlantaeRubiaceaeMitragyna javanica Koord.et Val.var.microphylla Craib Ref.
PlantaeRubiaceaeMitragyna speciosa Korth. Ref.
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OrganismMitragyna javanica Koord.et Val.var.microphylla Craib
ReferenceShellard,Planta Med.,15,(1967),245