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 OC1=C2C(OC(C3=CC=C(O)C(O)=C3)=C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C2=O)=CC(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCarthamus tinctorius Ref.
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