input word = C00025149

Metabolite InformationStructural formula
Name 3-Oxovoacangine
19-Oxovoacangine
Formula C22H26N2O4
Mw 382.18925733
CAS RN 3306-59-0
C_ID C00025149 ,
InChIKey LTQINICYLGNLHN-WCDIQGQJNA-N
InChICode InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3/t12-,13+,19-,22+/m0/s1
SMILES CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4CCN(C2=O)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia coronaria (Jacq.) Ref.
PlantaeApocynaceaeTabernaemontana amblyocarpa Urb. Ref.
PlantaeApocynaceaeTabernaemontana citrifolia L. Ref.
PlantaeApocynaceaeTabernaemontana echinata Vell. Ref.
PlantaeApocynaceaeTabernaemontana quadrangularis Ref.
PlantaeApocynaceaeTabernaemontana retusa (Lam.) Pichon Ref.
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