input word = C00006342

Metabolite InformationStructural formula
Name Isoschaftoside 4'-O-glucoside
Formula C32H38O19
Mw 726.20072904
CAS RN 151922-19-9
C_ID C00006342 ,
InChIKey JUJNPKAGUBZERG-DIULDGFPNA-N
InChICode InChI=1S/C32H38O19/c33-6-14-20(38)24(42)27(45)31(50-14)18-23(41)17(30-26(44)19(37)12(36)8-47-30)22(40)16-11(35)5-13(49-29(16)18)9-1-3-10(4-2-9)48-32-28(46)25(43)21(39)15(7-34)51-32/h1-5,12,14-15,19-21,24-28,30-34,36-46H,6-8H2/t12-,14+,15+,19-,20+,21+,24-,25-,26-,27+,28+,30-,31-,32+/m0/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCeratonia siliqua Ref.
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