input word = C00005982

Metabolite InformationStructural formula
Name Quercetin 3-(6''-malonylglucoside)-7-rhamnoside
Formula C30H32O19
Mw 696.15377884
CAS RN 162856-73-7
C_ID C00005982 ,
InChIKey BVUAPFPPYOQLKK-LGCVYHQJNA-N
InChICode InChI=1S/C30H32O19/c1-9-20(37)23(40)25(42)29(45-9)46-11-5-14(33)19-15(6-11)47-27(10-2-3-12(31)13(32)4-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)8-44-18(36)7-17(34)35/h2-6,9,16,20-21,23-26,29-33,37-38,40-43H,7-8H2,1H3,(H,34,35)/t9-,16-,20+,21-,23+,24+,25-,26-,29+,30+/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)CC(=O)O)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
PlantaeEquisetaceaeEquisetum silvaticum Ref.
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