input word = C00044631

Metabolite InformationStructural formula
Name Conodiparine C
Formula C44H52N4O7
Mw 748.38360004
CAS RN 213748-29-9
C_ID C00044631 ,
InChIKey PGDILKUTALVFQB-DQUFUQHWNA-N
InChICode InChI=1S/C44H52N4O7/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/h7-11,15,18,24,28,31,33,37,40,45-46,49H,12-14,16-17,19-22H2,1-6H3/b25-7-/t24-,28-,31+,33+,37+,40+,43-,44+/m1/s1
SMILES c1(c(cc2c(c1)c1c([nH]2)[C@]2([C@H]3N(CC1)C[C@@H](C2)C[C@@H]3C(=O)C)C(=O)OC)OC)[C@H]1c2c(c3ccccc3[nH]2)C[C@@H]2N(C/C(=C/C)/[C@H](C1)[C@@]2(C(=O)OC)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Tabernamontana corymbosa Ref.
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