input word = C00005437

Metabolite InformationStructural formula
Name Quercetin 7-O-rutinoside
Quercetin 7-rutinoside
Formula C27H30O16
Mw 610.15338491
CAS RN 147714-62-3
C_ID C00005437 ,
InChIKey IVTMALDHFAHOGL-JOYKFJQJNA-N
InChICode InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,23+,24-,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum Ref.
PlantaeCapparaceaeCapparis spinosa Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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