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 C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[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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OrganismTabernamontana corymbosa
ReferenceKam,J.Nat.Prod.,66,(2003),11