input word = C00005419

Metabolite InformationStructural formula
Name Quercetin 3,5-digalactoside
Formula C27H30O17
Mw 626.14829954
CAS RN
C_ID C00005419 ,
InChIKey YOXWSUCVDVXAMX-CAAIXZKVNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-13-5-9(30)4-12-16(13)19(35)25(24(40-12)8-1-2-10(31)11(32)3-8)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20-,21-,22-,23+,26+,27-/m0/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[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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