input word = C00033168

Metabolite InformationStructural formula
Name Marstomentoside F
(+)-Marstomentoside F
Formula C57H86O22
Mw 1122.56107443
CAS RN 238398-72-6
C_ID C00033168 ,
InChIKey BKDNFSUKSZWGQG-IWJFBHCRNA-N
InChICode InChI=1S/C57H86O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-31,34-39,41-52,58-59,61-67H,18-27H2,1-9H3/b16-15+/t28-,29-,30-,31+,34+,35+,36+,37-,38-,39-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52+,53+,54-,55-,56+,57-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)[C@@H](O)C)O)C)OC(=O)/C=C/c1ccccc1)O)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@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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