input word = C00014820

Metabolite InformationStructural formula
Name Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside)
Formula C36H37O19
Mw 773.192904
CAS RN 178737-74-1
C_ID C00014820 ,
InChIKey QBLJGCXJENARAY-XJVUPQPVNA-O
InChICode InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)36(54-24)53-23-11-18-21(51-34(23)15-7-19(40)27(43)20(41)8-15)9-17(39)10-22(18)52-35-33(49)31(47)29(45)25(55-35)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25+,28+,29+,30-,31-,32-,33+,35+,36+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
PlantaeGentianaceaeGentiana spp. Ref.
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OrganismGentiana spp.
ReferenceHosokawa,Phytochem.,45,(1997),167