input word = C00056076

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium(1+)
Petunidin
Formula C16H13O7
Mw 317.06612777
CAS RN 13270-60-5
C_ID C00056076
InChIKey AFOLOMGWVXKIQL-UHFFFAOYSA-O
InChICode InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
PlantaeEricaceaeVaccinium myrtillus Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
PlantaePassifloraceaePassiflora quadrangularis Ref.
PlantaeSolanaceaeSolanum tuberosum subsp. Andigena Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana spryginii Ref.
--Amonum subulatum Ref.
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