input word = C00004297

Metabolite InformationStructural formula
Name Luteolin 7-galacturonide-4'-glucoside
Formula C27H28O17
Mw 624.13264947
CAS RN 126207-52-1
C_ID C00004297 ,
InChIKey DUNZXXOAZWJFBE-CFDHUHLJNA-N
InChICode InChI=1S/C27H28O17/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39)/t16-,18-,19-,20+,21-,22-,23-,24-,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCuminum cyminum Ref.
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