input word = C00006709

Metabolite InformationStructural formula
Name Delphin
Delphinidin 3,5-diglucoside
Formula C27H31O17
Mw 627.15612457
CAS RN 17670-06-3
C_ID C00006709 ,
InChIKey XCTGXGVGJYACEI-JHPRFTIFNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17+,19-,20-,21+,22-,23-,24+,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)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
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeBoraginaceaeLobostemon spp. Ref.
PlantaeConvolvulaceaeEvolvulus pilosus Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePhaseolus aureus Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
PlantaeIridaceaeCrocus antalyensis Ref.
PlantaeIridaceaeCrocus sieberi Ref.
PlantaeLabiataeSalvia spp. Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeMyrtaceaeEucalyptus spp. Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeOrchidaceaeOrchis sp. Ref.
PlantaePassifloraceaePassiflora quadrangularis Ref.
PlantaePlantaginaceaePenstemon spp. Ref.
PlantaePlumbaginaceaeLimonium spp. Ref.
PlantaePoaceaeNardus stricta Ref.
PlantaeRanunculaceaeAnemone hepatica Ref.
PlantaeRanunculaceaeDelphinium consolida Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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