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 c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)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
PlantaeAsteraceaeCynara scolymus Ref.
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