input word = C00044637

Metabolite InformationStructural formula
Name Cononitarine A
(-)-Cononitarine A
Formula C43H52N4O7
Mw 736.38360004
CAS RN 486444-29-5
C_ID C00044637 ,
InChIKey HXMSBCHAUYUNRG-NYUTXTGGNA-N
InChICode InChI=1S/C43H52N4O7/c1-6-24-20-46(3)34-17-29-25-9-7-8-10-32(25)44-36(29)30(16-31(24)43(34,21-48)41(52)54-5)35-33(50)12-11-26-27-13-14-47-19-23-15-28(22(2)49)39(47)42(18-23,40(51)53-4)38(27)45-37(26)35/h6-12,22-23,28,30-31,34,39,44-45,48-50H,13-21H2,1-5H3/b24-6-/t22-,23+,28+,30+,31-,34-,39-,42+,43-/m0/s1
SMILES C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(O)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3[N@@](CC5)C4)CC1[C@]2(CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Tabernamontana corymbosa Ref.
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