input word = C00004309

Metabolite InformationStructural formula
Name Luteolin 7,4'-diglucuronide-3'-glucoside
Formula C33H36O23
Mw 800.16473746
CAS RN 69631-11-4
C_ID C00004309 ,
InChIKey QYCABSAOUAGOCG-KXFKOEPZNA-N
InChICode InChI=1S/C33H36O23/c34-7-16-18(37)19(38)24(43)32(54-16)53-14-3-8(1-2-12(14)52-33-26(45)21(40)23(42)28(56-33)30(48)49)13-6-11(36)17-10(35)4-9(5-15(17)51-13)50-31-25(44)20(39)22(41)27(55-31)29(46)47/h1-6,16,18-28,31-35,37-45H,7H2,(H,46,47)(H,48,49)/t16-,18-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28+,31-,32-,33-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRicciaceaeRiccia fluitans Ref.
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