input word = C00035739

Metabolite InformationStructural formula
Name Salsoloside D
Formula C47H74O19
Mw 942.48243018
CAS RN 89789-08-2
C_ID C00035739 ,
InChIKey UFRNMHBOQHSFSI-UHFFFAOYNA-N
InChICode InChI=1S/C47H74O19/c1-42(2)13-15-47(41(60)66-39-33(56)30(53)29(52)24(18-48)62-39)16-14-45(5)21(22(47)17-42)7-8-26-43(3)11-10-27(44(4,20-49)25(43)9-12-46(26,45)6)63-40-34(57)31(54)35(36(65-40)37(58)59)64-38-32(55)28(51)23(50)19-61-38/h7,22-36,38-40,48-57H,8-20H2,1-6H3,(H,58,59)/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34-,35+,36+,38+,39-,40-,43+,44-,45-,46-,47-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@@H]3[C@@]([C@]1(CC2)C)(CC[C@@H]1[C@]3(CC[C@@H]([C@]1(CO)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O)O)C)C)C(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSymplocaceaeSymplocos glomerata King Ref.
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