input word = C00025175

Metabolite InformationStructural formula
Name Hirsutine
Hirsutine(Mitragyna)
Formula C22H28N2O3
Mw 368.20999277
CAS RN 7729-23-9
C_ID C00025175 ,
InChIKey NMLUOJBSAYAYEM-AAOYZUDBNA-N
InChICode InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1
SMILES CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=COC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeMenispermaceaeCocculus hirsutus (L.)Diels Ref.
PlantaeRubiaceaeMitragyna hirsuta Havil Ref.
PlantaeRubiaceaeUncaria rhynchophylla Miq. Ref.
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