input word = C00034996

Metabolite InformationStructural formula
Name 16,17-Dihydro-17beta-hydroxymitraphylline
Formula C21H26N2O5
Mw 386.18417196
CAS RN 914478-84-5
C_ID C00034996 ,
InChIKey BZEARLNMWSCOOH-CLWIEZBYNA-N
InChICode InChI=1S/C21H26N2O5/c1-11-13-10-23-8-7-21(14-5-3-4-6-15(14)22-20(21)26)16(23)9-12(13)17(18(24)27-2)19(25)28-11/h3-6,11-13,16-17,19,25H,7-10H2,1-2H3,(H,22,26)/t11-,12+,13+,16-,17-,19+,21+/m0/s1
SMILES [C@@H]12C[C@@H]3[C@H](CN1CC[C@]12c2c(NC1=O)cccc2)[C@@H](O[C@H]([C@@H]3C(=O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna parvifolia Ref.
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