input word = C00005980

Metabolite InformationStructural formula
Name Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Formula C29H32O17
Mw 652.1639496
CAS RN 145626-31-9
C_ID C00005980 ,
InChIKey AATRYBSLZLJIJX-MWFDXTDONA-N
InChICode InChI=1S/C29H32O17/c1-9-25(45-29-23(39)21(37)19(35)17(44-29)8-41-10(2)30)22(38)24(40)28(42-9)46-27-20(36)18-15(34)6-12(31)7-16(18)43-26(27)11-3-4-13(32)14(33)5-11/h3-7,9,17,19,21-25,28-29,31-35,37-40H,8H2,1-2H3/t9-,17-,19-,21+,22+,23-,24+,25+,28-,29+/m1/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)COC(=O)C)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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