input word = C00004304

Metabolite InformationStructural formula
Name Luteolin 7-rutinoside-4'-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 20056-21-7
C_ID C00004304 ,
InChIKey GTKBXDKMEHYUSU-KXLLCXGPNA-N
InChICode InChI=1S/C33H40O20/c1-10-22(38)25(41)28(44)31(48-10)47-9-20-24(40)27(43)29(45)32(53-20)49-12-5-14(36)21-15(37)7-17(50-18(21)6-12)11-2-3-16(13(35)4-11)51-33-30(46)26(42)23(39)19(8-34)52-33/h2-7,10,19-20,22-36,38-46H,8-9H2,1H3/t10-,19-,20-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O[C@@H]6O[C@@H](CO)[C@@H](O)C(O)C6O)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
PlantaeAsteraceaeCynara scolymus Ref.
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