input word = C00005429

Metabolite InformationStructural formula
Name Quercetin 3-glucoside-7-glucuronide
Formula C27H28O18
Mw 640.12756409
CAS RN 134981-92-3
C_ID C00005429 ,
InChIKey KUHVZFKJXHIRDW-DOQCYBSONA-N
InChICode InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)27(43-13)44-23-16(33)14-11(31)4-8(41-26-21(38)18(35)19(36)24(45-26)25(39)40)5-12(14)42-22(23)7-1-2-9(29)10(30)3-7/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeTulipa gesneriana Ref.
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