input word = C00037830

Metabolite InformationStructural formula
Name Smiglaside C
Formula C38H44O20
Mw 820.24259385
CAS RN 288254-97-7
C_ID C00037830 ,
InChIKey VIYLZUDAAGEJSD-SAMIKWEDNA-N
InChICode InChI=1S/C38H44O20/c1-19(40)51-17-29-34(53-20(2)41)33(48)35(54-21(3)42)37(55-29)58-38(18-39)36(56-31(46)13-9-23-7-11-25(44)27(15-23)50-5)32(47)28(57-38)16-52-30(45)12-8-22-6-10-24(43)26(14-22)49-4/h6-15,28-29,32-37,39,43-44,47-48H,16-18H2,1-5H3/b12-8+,13-9+/t28-,29-,32-,33+,34-,35-,36+,37-,38+/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@](O1)(CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O)OC(=O)C)OC(=O)/C=C/c1cc(c(cc1)O)OC)O)COC(=O)/C=C/c1ccc(c(c1)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax glabra Ref.
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