input word = C00006697

Metabolite InformationStructural formula
Name Empetrin
Delphinidin 3-O-beta-D-galactopyranoside
Formula C21H21O12
Mw 465.10330114
CAS RN 68852-84-6
C_ID C00006697 ,
InChIKey XENHPQQLDPAYIJ-XSYNRREMNA-O
InChICode InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18-,19+,21+/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)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus mas Ref.
PlantaeEricaceaeArbutus unedo Ref.
PlantaeEricaceaeCyathodes spp. Ref.
PlantaeEricaceaeEmpetrum nigrum Ref.
PlantaeEricaceaePentachondra spp. Ref.
PlantaeEricaceaeTrochocarpa spp. Ref.
PlantaeEricaceaeVaccinium corymbosum Ref.
PlantaeEricaceaeVaccinium myrtillus L. Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeFabaceaeAnthyllis pyrenaica Ref.
PlantaeFrankeniaceaeFrankenia grandiflora Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeNymphaeaceaeNymphaea alba Ref.
PlantaeNymphaeaceaeNymphaea candida Ref.
PlantaeNymphaeaceaeNymphaea marliacea Ref.
PlantaePlumbaginaceaeCeratostigma plumbaginoides Ref.
PlantaeSapindaceaeBlighia sieboldii Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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