input word = C00004166

Metabolite InformationStructural formula
Name Apigenin 7-rutinoside-4'-glucoside
Formula C33H40O19
Mw 740.2163791
CAS RN
C_ID C00004166 ,
InChIKey LBYRFTLMNPBSBD-FRYCJKGZNA-N
InChICode InChI=1S/C33H40O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-8,11,19-20,22-35,37-45H,9-10H2,1H3/t11-,19+,20-,22+,23-,24-,25+,26+,27+,28-,29-,30-,31-,32-,33-/m1/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)cc5)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
PlantaeRubiaceaeGalium mollugo Ref.
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