input word = C00044632

Metabolite InformationStructural formula
Name Conodiparine D
Formula C44H52N4O7
Mw 748.38360004
CAS RN 213748-30-2
C_ID C00044632 ,
InChIKey IPOIURWVTPXYSD-DQWHOSBYNA-N
InChICode InChI=1S/C44H52N4O7/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/h7-13,24,29,31-32,35,40,45-46,49H,14-22H2,1-6H3/b25-7-/t24?,29-,31-,32+,35+,40+,43-,44+/m1/s1
SMILES C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](C(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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