input word = C00044633

Metabolite InformationStructural formula
Name Conodiparine E
(-)-Conodiparine E
Formula C43H52N4O7
Mw 736.38360004
CAS RN 486444-25-1
C_ID C00044633 ,
InChIKey KWWCLFBZFROVOB-MZEAWCNLNA-N
InChICode InChI=1S/C43H52N4O7/c1-6-24-19-44-36-16-31-25-9-7-8-10-33(25)45-37(31)30(15-32(24)43(36,21-48)41(51)54-5)29-14-28-26-11-12-47-20-23-13-27(22(2)49)39(47)42(18-23,40(50)53-4)38(26)46-34(28)17-35(29)52-3/h6-10,14,17,22-23,27,30,32,36,39,44-46,48-49H,11-13,15-16,18-21H2,1-5H3/b24-6-/t22-,23+,27+,30-,32+,36-,39-,42+,43-/m0/s1
SMILES c1(c(cc2c(c1)c1c([nH]2)[C@]2([C@H]3N(CC1)C[C@@H](C2)C[C@@H]3[C@@H](O)C)C(=O)OC)OC)[C@@H]1C[C@@H]2/C(=C\C)/CN[C@@H](Cc3c1[nH]c1c3cccc1)[C@]2(C(=O)OC)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Tabernamontana corymbosa Ref.
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