input word = C00005969

Metabolite InformationStructural formula
Name Quercetin 7-(6''-tiglylglucoside)
Formula C26H26O13
Mw 546.13734092
CAS RN 56365-37-8
C_ID C00005969 ,
InChIKey AMTJHZIQBTUFSJ-HXJFJYEVNA-N
InChICode InChI=1S/C26H26O13/c1-3-10(2)25(35)36-9-17-19(30)21(32)23(34)26(39-17)37-12-7-15(29)18-16(8-12)38-24(22(33)20(18)31)11-4-5-13(27)14(28)6-11/h3-8,17,19,21,23,26-30,32-34H,9H2,1-2H3/b10-3+/t17-,19-,21+,23-,26-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C(=C/C)/C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeEnkianthus nudipes Ref.
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