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 CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
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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