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 C/C=C(C)C(=O)OCC1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeEnkianthus nudipes Ref.
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