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 c1(cc(c2c(c1)oc(c(c2=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)OC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)c1ccc(cc1)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
PlantaeGentianaceaeEustoma grandiflorum Ref.
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OrganismEustoma grandiflorum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Asen,Phytochem.,25,(1986),2509

Markham,Phytochem.,34,(1993),679