input word = C00005981

Metabolite InformationStructural formula
Name Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside
Formula C29H32O17
Mw 652.1639496
CAS RN 124027-51-6
C_ID C00005981 ,
InChIKey QBFLREGYLMFMCL-JMKOUYEWNA-N
InChICode InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3/t9-,17+,19+,20+,22+,23-,24-,25+,28+,29+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COC(=O)C)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
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