input word = C00005439

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Formula C33H40O21
Mw 772.20620834
CAS RN 134953-93-8
C_ID C00005439 ,
InChIKey XEFNBVWDOQCMSG-VOIUDVERNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16-,17-,19+,20-,21+,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)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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