input word = C00045329

Metabolite InformationStructural formula
Name Isovoacryptine
Formula C22H26N2O4
Mw 382.18925733
CAS RN 438201-18-4
C_ID C00045329 ,
InChIKey DHNVEFDPJJFMQT-CGZBEMHRNA-N
InChICode InChI=1S/C22H26N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,13,17,20,23H,6-8,10-11H2,1-3H3/t13-,17-,20+,22-/m1/s1
SMILES COC(=O)[C@@]12C[C@H]3C[C@H](C(C)=O)[C@@H]1[N@@](CCc1c2[nH]c2cc(OC)ccc12)C3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana corymbosa Ref.
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