input word = C00033175

Metabolite InformationStructural formula
Name Marstomentoside M
(+)-Marstomentoside M
Formula C49H80O17
Mw 940.53955113
CAS RN 238398-90-8
C_ID C00033175 ,
InChIKey SFSFMIYWQJWTJB-HBGLTSCNNA-N
InChICode InChI=1S/C49H80O17/c1-13-25(2)44(52)62-29(6)47(53)18-19-49(55)46(47,9)37(63-30(7)50)24-36-45(8)16-15-32(20-31(45)14-17-48(36,49)54)64-38-22-34(57-11)42(27(4)60-38)66-40-23-35(58-12)43(28(5)61-40)65-39-21-33(56-10)41(51)26(3)59-39/h13,26-29,31-43,51,53-55H,14-24H2,1-12H3/b25-13+/t26-,27-,28-,29-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,45+,46-,47-,48+,49-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@@]2([C@]([C@@H](C1)OC(=O)C)([C@](CC2)(O)[C@@H](C)OC(=O)/C(=C/C)/C)C)O)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](C1)OC)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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