input word = C00026769

Metabolite InformationStructural formula
Name Neonaucleoside C
(-)-Neonaucleoside C
Formula C44H54N2O20
Mw 930.32699218
CAS RN 539825-82-6
C_ID C00026769 ,
InChIKey APXDLYAWLHQGTH-RUDXOEORNA-N
InChICode InChI=1S/C44H54N2O20/c1-4-16-19(21(39(57)59-3)14-60-41(16)65-43-36(53)34(51)32(49)26(12-47)63-43)10-24-30-28(18-8-6-7-9-23(18)45-30)29(31(46-24)38(55)56)25-11-20-17(5-2)42(61-15-22(20)40(58)62-25)66-44-37(54)35(52)33(50)27(13-48)64-44/h4-9,14-17,19-20,24-27,29,31-37,41-54H,1-2,10-13H2,3H3,(H,55,56)/t16-,17-,19-,20-,24-,25-,26+,27+,29+,31+,32+,33+,34-,35+,36+,37+,41+,42+,43+,44+/m1/s1
SMILES O1[C@@H](O[C@@H]2OC=C([C@@H]([C@H]2C=C)C[C@@H]2c3c([C@@H]([C@H](N2)C(=O)O)[C@@H]2OC(=O)C4=CO[C@@H](O[C@@H]5O[C@H]([C@H](O)[C@H](O)[C@@H]5O)CO)[C@@H]([C@H]4C2)C=C)c2c([nH]3)cccc2)C(=O)OC)[C@@H](O)[C@@H]([C@H]([C@@H]1CO)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeNeonauclea sessilifolia Ref.
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