input word = C00005209

Metabolite InformationStructural formula
Name Sorboside
Formula C33H40O21
Mw 772.20620834
CAS RN 16839-04-6
C_ID C00005209 ,
InChIKey ZBXYLJVWBJJBDG-IYYDFCBXNA-N
InChICode InChI=1S/C33H40O21/c34-7-15-19(39)22(42)25(45)32(50-15)53-29-16(8-35)51-31(27(47)24(29)44)48-9-17-20(40)23(43)26(46)33(52-17)54-30-21(41)18-13(38)5-12(37)6-14(18)49-28(30)10-1-3-11(36)4-2-10/h1-6,15-17,19-20,22-27,29,31-40,42-47H,7-9H2/t15-,16-,17-,19-,20-,22+,23+,24-,25-,26+,27-,29-,31-,32+,33+/m1/s1
SMILES O=c1c(O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@H](O)C3O)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSorbus pendula Ref.
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