input word = C00025754

Metabolite InformationStructural formula
Name 5-Oxocoronaridine
Formula C21H24N2O3
Mw 352.17869265
CAS RN 76129-70-9
C_ID C00025754 ,
InChIKey DBGKTLXHLPFTPZ-KMQTZHPINA-N
InChICode InChI=1S/C21H24N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(9-17(24)23(11-12)19(13)21)14-6-4-5-7-16(14)22-18/h4-7,12-13,19,22H,3,8-11H2,1-2H3/t12-,13+,19+,21-/m1/s1
SMILES c12c([nH]c3c1cccc3)[C@]1([C@H]3N(C(=O)C2)C[C@@H](C1)C[C@@H]3CC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana crassa Benth. Ref.
PlantaeApocynaceaeTabernaemontana divaricata (L.)R.Br. Ref.
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