input word = C00057339

Metabolite InformationStructural formula
Name Quercetin 3-rhamnoside 7-glucuronide
Formula C27H28O17
Mw 624.13264947
CAS RN 307950-58-9
C_ID C00057339
InChIKey WKPJKGBJWOCOIM-SVPJYMONSA-N
InChICode InChI=1S/C27H28O17/c1-7-15(31)17(33)20(36)26(40-7)43-23-16(32)14-12(30)5-9(41-27-21(37)18(34)19(35)24(44-27)25(38)39)6-13(14)42-22(23)8-2-3-10(28)11(29)4-8/h2-7,15,17-21,24,26-31,33-37H,1H3,(H,38,39)/t7-,15-,17+,18-,19-,20+,21+,24-,26-,27+/m0/s1
SMILES C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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