input word = C00024509

Metabolite InformationStructural formula
Name 3-Oxovenalstonidine
Formula C21H22N2O4
Mw 366.15795721
CAS RN 87387-68-6
C_ID C00024509 ,
InChIKey BDBSTVVWBDXWCX-UHFFFAOYNA-N
InChICode InChI=1S/C21H22N2O4/c1-26-17(25)12-10-19-6-7-21(12)20(11-4-2-3-5-13(11)22-21)8-9-23(18(19)20)16(24)14-15(19)27-14/h2-5,12,14-15,18,22H,6-10H2,1H3/t12-,14-,15+,18-,19-,20+,21-/m1/s1
SMILES c1ccc2c(c1)[C@]13[C@]4(N2)[C@H](C[C@]2([C@H]1N(C(=O)[C@H]1[C@@H]2O1)CC3)CC4)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus reticulatus Ref.
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