input word = C00006310

Metabolite InformationStructural formula
Name Schaftoside 6''-O-glucoside
Formula C32H38O19
Mw 726.20072904
CAS RN 94530-41-3
C_ID C00006310 ,
InChIKey ARMXZLWESJKVKR-DIULDGFPNA-N
InChICode InChI=1S/C32H38O19/c33-6-14-20(38)25(43)28(46)32(51-14)48-8-15-21(39)24(42)27(45)31(50-15)17-22(40)16-11(35)5-13(9-1-3-10(34)4-2-9)49-29(16)18(23(17)41)30-26(44)19(37)12(36)7-47-30/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](CO1)O)O)O)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria holostea Ref.
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