input word = C00033165

Metabolite InformationStructural formula
Name Marstomentoside C
(+)-Marstomentoside C
Formula C57H81O17
Mw 1037.54737616
CAS RN 238398-64-6
C_ID C00033165 ,
InChIKey FZQUCMSSDACPQV-JBDUOYFCNA-N
InChICode InChI=1S/C57H81NO17/c1-31-47(60)51(67-9)48(61)53(70-31)75-50-33(3)69-46(29-42(50)66-8)74-49-32(2)68-45(28-41(49)65-7)72-38-21-22-54(5)37(26-38)18-19-39-40(54)27-43(73-44(59)20-17-35-14-11-10-12-15-35)55(6)56(63,23-24-57(39,55)64)34(4)71-52(62)36-16-13-25-58-30-36/h10-17,20,25,30-34,37-43,45-51,53,60-61,63-64H,18-19,21-24,26-29H2,1-9H3/b20-17+/t31-,32-,33-,34+,37+,38+,39-,40+,41+,42+,43-,45+,46+,47-,48-,49-,50-,51+,53+,54+,55-,56-,57+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)OC(=O)/C=C/c1ccccc1)([C@](CC2)(O)[C@@H](OC(=O)c1cnccc1)C)C)O)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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