input word = C00002384

Metabolite InformationStructural formula
Name Malvin
Malvidin 3,5-diglucoside
Malvidin diglucoside
Formula C29H35O17
Mw 655.1874247
CAS RN 16727-30-3
C_ID C00002384 ,
InChIKey CILLXFBAACIQNS-OQSXKAOHNA-O
InChICode InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19+,21+,22+,23-,24-,25+,26+,28+,29+/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)O)O)O)c1cc(c(c(c1)OC)O)OC)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
PlantaeAlliaceaeAllium cepa Ref.
PlantaeBalsaminaceaeImpatiens balsamina Ref.
PlantaeDioscoreaceaeDioscorea tryphida Ref.
PlantaeFabaceaeAstragalus sinicus Ref.
PlantaeFabaceaeCanavalia lineata Ref.
PlantaeFabaceaeCercis chinensis Ref.
PlantaeFabaceaeDesmodium sandwicense Ref.
PlantaeFabaceaeDicorynia guianensis Ref.
PlantaeFabaceaeHedysarum coronarium Ref.
PlantaeFabaceaeIndigofera pseudotinctoria Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMillettia zechiana Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeFabaceaeVicia sativa Ref.
PlantaeFabaceaeVicia unijuga Ref.
PlantaeFabaceaeVicia venosa Ref.
PlantaeFabaceaeWisteria floribunda Ref.
PlantaeGeraniaceaeGeranium eriostemon Ref.
PlantaeGeraniaceaeGeranium sylvaticum Ref.
PlantaeGeraniaceaePelargonium dolomiticum Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
PlantaeMelastomataceaeMelastoma malabathricum Ref.
PlantaeMyrsinaceaeCyclamen persicum Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaePassifloraceaePassiflora quadrangularis Ref.
PlantaePolygonaceaePolygonum spp. Ref.
PlantaeSaxifragaceaeSaxifraga spp. Ref.
PlantaeVitaceaeAmpelopsis brevipedunculata Ref.
PlantaeVitaceaeVitis spp. Ref.
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OrganismAllium cepa
Referencehttps://doi.org/10.11603/mcch.2410-681x.2018.v0.i1.8840