input word = C00005911

Metabolite InformationStructural formula
Name Kaempferol 3-ferulylrobinobioside-7-rhamnoside
Formula C43H48O22
Mw 916.26372322
CAS RN 107742-08-5
C_ID C00005911 ,
InChIKey PQVHQKUGFZSZMZ-DPKKHMMDNA-N
InChICode InChI=1S/C43H48O22/c1-16-29(48)32(51)35(54)41(59-16)58-15-26-39(64-27(47)11-5-18-4-10-22(45)24(12-18)57-3)34(53)37(56)43(63-26)65-40-31(50)28-23(46)13-21(61-42-36(55)33(52)30(49)17(2)60-42)14-25(28)62-38(40)19-6-8-20(44)9-7-19/h4-14,16-17,26,29-30,32-37,39,41-46,48-49,51-56H,15H2,1-3H3/b11-5+/t16-,17-,26+,29-,30-,32-,33-,34-,35-,36+,37-,39-,41+,42-,43-/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2C(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
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