input word = C00044634

Metabolite InformationStructural formula
Name Conodiparine F
(-)-Conodiparine F
Formula C43H52N4O7
Mw 736.38360004
CAS RN 486444-26-2
C_ID C00044634 ,
InChIKey JISWNPUGSHPACB-NYUTXTGGNA-N
InChICode InChI=1S/C43H52N4O7/c1-6-24-19-44-34-17-29-25-9-7-8-10-32(25)45-36(29)30(16-31(24)43(34,21-48)41(51)54-5)35-33(52-3)12-11-26-27-13-14-47-20-23-15-28(22(2)49)39(47)42(18-23,40(50)53-4)38(27)46-37(26)35/h6-12,22-23,28,30-31,34,39,44-46,48-49H,13-21H2,1-5H3/b24-6-/t22-,23+,28+,30+,31+,34-,39-,42+,43-/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]2NC/C(=C/C)/[C@@H](C1)[C@@]2(C(=O)OC)CO)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
--Tabernamontana corymbosa Ref.
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