input word = C00004169

Metabolite InformationStructural formula
Name Apigenin 7-rhamnoside-4'-rutinoside
Formula C33H40O18
Mw 724.22146448
CAS RN 120282-90-8
C_ID C00004169 ,
InChIKey NFAJQBFPJPNCER-UJEYQYBCNA-N
InChICode InChI=1S/C33H40O18/c1-11-22(36)25(39)28(42)31(46-11)45-10-20-24(38)27(41)30(44)33(51-20)48-14-5-3-13(4-6-14)18-9-17(35)21-16(34)7-15(8-19(21)50-18)49-32-29(43)26(40)23(37)12(2)47-32/h3-9,11-12,20,22-34,36-44H,10H2,1-2H3/t11-,12+,20-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31+,32-,33+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)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)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSesbania rostrata Ref.
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