input word = C00005458

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Formula C33H40O21
Mw 772.20620834
CAS RN 59262-55-4
C_ID C00005458 ,
InChIKey NRLBTXWCRPVKIE-ZNGCJDFWNA-N
InChICode InChI=1S/C33H40O21/c1-9-28(53-33-26(46)23(43)20(40)17(52-33)8-48-31-25(45)22(42)19(39)16(7-34)51-31)24(44)27(47)32(49-9)54-30-21(41)18-14(38)5-11(35)6-15(18)50-29(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17+,19+,20+,22-,23-,24-,25-,26+,27-,28-,31+,32-,33-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)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)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa multiflora Ref.
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