input word = C00006891

Metabolite InformationStructural formula
Name Delphinidin 3-robinobioside-5-(6-(E)-ferulylglucoside)
Formula C43H49O24
Mw 949.2613775
CAS RN 151677-01-9
C_ID C00006891 ,
InChIKey XSHPSKFSSTZIJP-UHFFFAOYNA-O
InChICode InChI=1S/C43H48O24/c1-15-30(49)34(53)37(56)41(62-15)61-14-28-33(52)36(55)39(58)43(67-28)65-26-12-19-23(63-40(26)17-8-21(46)31(50)22(47)9-17)10-18(44)11-24(19)64-42-38(57)35(54)32(51)27(66-42)13-60-29(48)6-4-16-3-5-20(45)25(7-16)59-2/h3-12,15,27-28,30,32-39,41-43,49,51-58H,13-14H2,1-2H3,(H4-,44,45,46,47,48,50)/p+1/t15-,27-,28+,30-,32-,33+,34-,35-,36-,37+,38-,39+,41+,42+,43+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)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)c1cc(c(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)OC)O)O)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, 2, (1999), 1,Anthocyanins

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