input word = C00033182

Metabolite InformationStructural formula
Name Marstomentoside T
(+)-Marstomentoside T
Formula C63H91NO22
Mw 1213.6032736
CAS RN 260791-48-8
C_ID C00033182 ,
InChIKey TZCBQXDCYJMOEP-HKFKNPFCNA-N
InChICode InChI=1S/C63H91NO22/c1-32-53(84-48-29-43(75-8)54(33(2)78-48)85-59-52(70)56(76-9)55(34(3)79-59)86-58-51(69)50(68)49(67)44(31-65)82-58)42(74-7)28-47(77-32)81-39-21-22-60(5)38(26-39)18-19-40-41(60)27-45(83-46(66)20-17-36-14-11-10-12-15-36)61(6)62(72,23-24-63(40,61)73)35(4)80-57(71)37-16-13-25-64-30-37/h10-17,20,25,30,32-35,38-45,47-56,58-59,65,67-70,72-73H,18-19,21-24,26-29,31H2,1-9H3/b20-17+/t32-,33-,34-,35+,38+,39+,40-,41+,42+,43+,44-,45-,47+,48+,49-,50+,51-,52-,53-,54-,55-,56-,58+,59+,60+,61-,62-,63+/m1/s1
SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]6[C@@H]5C[C@@H](OC(=O)/C=C/c5ccccc5)[C@]5(C)[C@](O)([C@H](C)OC(=O)c7cccnc7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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