Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Malvidin 10463-84-0 159287
Structure Other Information
Canonical SMILES COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O
Iso SMILES COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O
InChI InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
InChI Key KZMACGJDUUWFCH-UHFFFAOYSA-O
Formula C17H15O7+
Mol Weight 331.297
XlogP3 0
Charge 1

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Synonyms Information
CAS Name 2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3,5,7-triol
IUPAC Name 2-(4-hydroxy-3,5-dimethoxy-phenyl)chromenylium-3,5,7-triol
Openeye Name 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol
Systematic Name 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol
Tratitional Name 2-(3,5-dimethoxy-4-oxidanyl-phenyl)chromenylium-3,5,7-triol