input word = C00043008

Metabolite InformationStructural formula
Name Smilaside F
(+)-Smilaside F
Formula C44H46O20
Mw 894.25824391
CAS RN 870296-15-4
C_ID C00043008 ,
InChIKey QHZJEIGSGZHOHS-YZSGBIMPNA-N
InChICode InChI=1S/C44H46O20/c1-24(45)57-21-33-38(53)40(55)41(60-25(2)46)43(61-33)64-44(23-59-36(51)17-9-26-4-12-29(47)13-5-26)42(62-37(52)19-10-27-6-14-30(48)15-7-27)39(54)34(63-44)22-58-35(50)18-11-28-8-16-31(49)32(20-28)56-3/h4-20,33-34,38-43,47-49,53-55H,21-23H2,1-3H3/b17-9+,18-11+,19-10+/t33-,34-,38+,39-,40+,41-,42+,43-,44+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@](O1)(O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)OC(=O)C)COC(=O)/C=C/c1ccc(cc1)O)OC(=O)/C=C/c1ccc(cc1)O)O)COC(=O)/C=C/c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax china Ref.
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