input word = C00044629

Metabolite InformationStructural formula
Name Conodiparine A
Formula C44H54N4O7
Mw 750.39925011
CAS RN 213748-27-7
C_ID C00044629 ,
InChIKey YCZBPVXCHDXNAB-GFJFMXOLNA-N
InChICode InChI=1S/C44H54N4O7/c1-7-25-21-47(3)37-17-32-26-10-8-9-11-34(26)45-38(32)31(16-33(25)44(37,22-49)42(52)55-6)30-15-29-27-12-13-48-20-24-14-28(23(2)50)40(48)43(19-24,41(51)54-5)39(27)46-35(29)18-36(30)53-4/h7-11,15,18,23-24,28,31,33,37,40,45-46,49-50H,12-14,16-17,19-22H2,1-6H3/b25-7-/t23-,24+,28+,31-,33-,37-,40-,43+,44-/m0/s1
SMILES [C@]12(C[C@H]3C[C@@H]([C@@H]1N(CCc1c2[nH]c2c1cc(c(c2)OC)[C@@H]1C[C@H]2/C(=C\C)/CN([C@@H](Cc4c1[nH]c1c4cccc1)[C@@]2(CO)C(=O)OC)C)C3)[C@@H](O)C)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