input word = C00006735

Metabolite InformationStructural formula
Name Oenin
Malvidin 3-O-beta-D-glucopyranoside
Formula C23H25O12
Mw 493.13460127
CAS RN 7228-78-6
C_ID C00006735 ,
InChIKey PXUQTDZNOHRWLI-RVBSYNOMNA-O
InChICode InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23-/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)OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeBerberidaceaeBerberis spp. Ref.
PlantaeCoriariaceaeCoriaria myrtifolia Ref.
PlantaeEricaceaeGaylussacia spp. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeFabaceaeAmphithalea spp. Ref.
PlantaeFabaceaeCanavalia gladiata Ref.
PlantaeFabaceaeCanavalia lineata Ref.
PlantaeFabaceaeCanavalia spp. Ref.
PlantaeFabaceaeCercis chinensis Ref.
PlantaeFabaceaeClitoria ternatea Ref.
PlantaeFabaceaeCoelidium spp. Ref.
PlantaeFabaceaeHypocalyptus spp. Ref.
PlantaeFabaceaeLiparia spp. Ref.
PlantaeFabaceaeMucuna macrocarpa Ref.
PlantaeFabaceaeMucuna sempervirens Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeVigna subterranea Ref.
PlantaeGeraniaceaeErodium cicutarium Ref.
PlantaeHyacinthaceaeMuscari armeniacum Ref.
PlantaeLythraceaeLagerstroemia indica Ref.
PlantaeMalvaceaeHibiscus syriacus Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
PlantaeMyrsinaceaeAnagallis arvensis Ref.
PlantaeMyrsinaceaeArdisia humilis Ref.
PlantaeMyrtaceaeEugenia umbelliflora Ref.
PlantaeMyrtaceaeMetrosideros spp. Ref.
PlantaeOnagraceaeFuchsia spp. Ref.
PlantaePassifloraceaePassiflora quadrangularis Ref.
PlantaePinaceaeAbies spp. Ref.
PlantaePinaceaePinus banksiana Ref.
PlantaePrimulaceaePrimula spp. Ref.
PlantaeSaxifragaceaeTolmiea menziesii Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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