input word = C00005976

Metabolite InformationStructural formula
Name Quercetin 3-(2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl)(1->6)-glucoside
Formula C32H34O19
Mw 722.16942891
CAS RN 149507-87-9
C_ID C00005976 ,
InChIKey JLFAFZJHFPUPBD-HBJWTIHBNA-N
InChICode InChI=1S/C32H34O19/c1-11(33)46-21-10-45-32(30(48-13(3)35)28(21)47-12(2)34)44-9-20-23(40)25(42)26(43)31(50-20)51-29-24(41)22-18(39)7-15(36)8-19(22)49-27(29)14-4-5-16(37)17(38)6-14/h4-8,20-21,23,25-26,28,30-32,36-40,42-43H,9-10H2,1-3H3/t20-,21-,23-,25+,26-,28+,30-,31+,32+/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](CO1)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
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