input word = C00013930

Metabolite InformationStructural formula
Name Quercetin 3,3'-dimethyl ether 7-rutinoside
7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
Formula C29H34O16
Mw 638.18468504
CAS RN 211292-70-5
C_ID C00013930 ,
InChIKey XRBZVEJYLXCQTD-HZNOVFKINA-N
InChICode InChI=1S/C29H34O16/c1-10-19(32)22(35)24(37)28(42-10)41-9-17-20(33)23(36)25(38)29(45-17)43-12-7-14(31)18-16(8-12)44-26(27(40-3)21(18)34)11-4-5-13(30)15(6-11)39-2/h4-8,10,17,19-20,22-25,28-33,35-38H,9H2,1-3H3/t10-,17-,19-,20-,22+,23-,24-,25-,28+,29+/m0/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1OC)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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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