input word = C00005422

Metabolite InformationStructural formula
Name Quercetin 3-xyloside-7-rhamnoside
Formula C26H28O15
Mw 580.14282023
CAS RN 102733-91-5
C_ID C00005422 ,
InChIKey LKCWNKWQDHJLCT-SVMZQRRVNA-N
InChICode InChI=1S/C26H28O15/c1-8-17(31)20(34)22(36)26(38-8)39-10-5-13(29)16-15(6-10)40-23(9-2-3-11(27)12(28)4-9)24(19(16)33)41-25-21(35)18(32)14(30)7-37-25/h2-6,8,14,17-18,20-22,25-32,34-36H,7H2,1H3/t8-,14+,17+,18+,20+,21+,22-,25+,26+/m1/s1
SMILES CC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)C(O)C4O)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
PlantaeParnassiaceaeParnassia fimbriata Ref.
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