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 c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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
PlantaeRubiaceaeGalium mollugo Ref.
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