input word = C00050933

Metabolite InformationStructural formula
Name Isogambirine
Formula C22H28N2O4
Mw 384.2049074
CAS RN 142934-41-6
C_ID C00050933
InChIKey VVFNDHBLDUVXPL-TYBFBFLJNA-N
InChICode InChI=1S/C22H28N2O4/c1-4-13-11-24-8-7-15-17-9-14(25)5-6-19(17)23-21(15)20(24)10-16(13)18(12-27-2)22(26)28-3/h5-6,9,12-13,16,20,23,25H,4,7-8,10-11H2,1-3H3/b18-12+/t13-,16-,20-/m0/s1
SMILES CC[C@H]1CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria callophylla Ref.
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