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 c1(cc(c2c(c1)oc(c(c2=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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSorbus pendula Ref.
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OrganismSorbus pendula
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Pavlii,Farm.Zh.(Kiev),32,(1967),50