input word = C00006884

Metabolite InformationStructural formula
Name Awobanin
Delphinidin-3-(6-O-p-coumarylglucoside)-5-glucoside
Formula C36H37O19
Mw 773.192904
CAS RN 64615-55-0,136031-06-6
C_ID C00006884 ,
InChIKey HXWHJZIJSNBCJX-NPJIBHEINA-O
InChICode InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)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 c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLotus corniculatus Ref.
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
PlantaeLabiataeDracocephalum wilsonii Ref.
PlantaeLabiataeHyssopus officinalis Ref.
PlantaeLabiataeLallemantia canescens Ref.
PlantaeLabiataeLavandula stoechas Ref.
PlantaeLabiataeNepeta spp. Ref.
PlantaeLabiataePrunella vulgaris Ref.
PlantaeLabiataeSalvia splendens Ref.
PlantaeLamiaceaeHorminum pyrenaicum Ref.
PlantaeThemidaceaeTriteleia bridgesii Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismLotus corniculatus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Williams,J.Chromatogr.,155,(1978),389

Saito,Phytochem.,31,(1992),3009