input word = C00013849

Metabolite InformationStructural formula
Name Quercetin 7-(2G-xylosylrutinoside)
7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
Formula C32H38O20
Mw 742.19564366
CAS RN 213473-56-4
C_ID C00013849 ,
InChIKey DJKDEEYUURAWII-JVRQALPWNA-N
InChICode InChI=1S/C32H38O20/c1-9-19(37)23(41)27(45)30(48-9)47-8-17-21(39)24(42)29(52-31-26(44)20(38)15(36)7-46-31)32(51-17)49-11-5-14(35)18-16(6-11)50-28(25(43)22(18)40)10-2-3-12(33)13(34)4-10/h2-6,9,15,17,19-21,23-24,26-27,29-39,41-45H,7-8H2,1H3/t9-,15+,17-,19-,20-,21+,23+,24-,26+,27-,29+,30+,31-,32+/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O)c(cc(c2)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)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens andicola Ref.
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