input word = C00044630

Metabolite InformationStructural formula
Name Conodiparine B
Formula C44H54N4O7
Mw 750.39925011
CAS RN 213748-28-8
C_ID C00044630 ,
InChIKey ZDXOLFVIYJGKKI-QJWPEROBNA-N
InChICode InChI=1S/C44H54N4O7/c1-7-25-21-47(3)35-18-30-26-10-8-9-11-33(26)45-37(30)31(17-32(25)44(35,22-49)42(52)55-6)36-34(53-4)13-12-27-28-14-15-48-20-24-16-29(23(2)50)40(48)43(19-24,41(51)54-5)39(28)46-38(27)36/h7-13,23-24,29,31-32,35,40,45-46,49-50H,14-22H2,1-6H3/b25-7-/t23-,24+,29+,31+,32-,35+,40-,43+,44-/m0/s1
SMILES c1c(c(c2c(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)[C@@H]1c2[nH]c3ccccc3c2C[C@H]2N(C/C(=C/C)/[C@H](C1)[C@@]2(C(=O)OC)CO)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Tabernamontana corymbosa Ref.
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