input word = C00040338

Metabolite InformationStructural formula
Name Spartitrioside
(-)-Spartitrioside
Formula C48H78O19
Mw 958.51373031
CAS RN 244140-10-1
C_ID C00040338 ,
InChIKey YKDQAKRKZPCHOM-ONMOQMOANA-N
InChICode InChI=1S/C48H78O19/c1-20-29(53)31(55)35(59)40(62-20)66-37-32(56)30(54)23(18-49)63-41(37)67-38-34(58)33(57)36(39(60)61)65-42(38)64-28-12-13-44(4)24(45(28,5)19-50)11-14-46(6)25(44)10-9-21-22-15-43(2,3)16-26(51)48(22,8)27(52)17-47(21,46)7/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44-,45+,46+,47+,48+/m0/s1
SMILES C1(C[C@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C(=O)O)C)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSpartium junceum Ref.
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