Petunidin-3-O-glucoside

Petunidin-3-O-glucoside
Names
	IUPAC name (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
	Other names Petunidin-3-glucoside; Petunidin 3-O-glucoside; Petunidin 3-O-β-glucopyranoside
Identifiers
CAS Number	6988-81-4 (chloride) ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:31985;
ChemSpider	391784;
KEGG	C12139 ;
PubChem CID	443651;
UNII	AA9G36JBHT (chloride) ;
CompTox Dashboard (EPA)	DTXSID40990158 ;
	InChI InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 Key: CCQDWIRWKWIUKK-QKYBYQKWSA-O;
	SMILES COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O;
Properties
Chemical formula	C; 22H; 23O+; 12; C22H23O12Cl (chloride)
Molar mass	479.41 g/mol, 514.86 g/mol (chloride)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Petunidin-3-O-glucoside is anthocyanin. It is found in fruits and berries, in red Vitis vinifera grapes and red wine.^[1]

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Names

IUPAC name (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Other names Petunidin-3-glucoside Petunidin 3-O-glucoside Petunidin 3-O-β-glucopyranoside
Identifiers
CAS Number	6988-81-4 (chloride)^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:31985
ChemSpider	391784
KEGG	C12139^Y
PubChem CID	443651
UNII	AA9G36JBHT (chloride)^Y
CompTox Dashboard (EPA)	DTXSID40990158
InChI InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1 Key: CCQDWIRWKWIUKK-QKYBYQKWSA-O
SMILES COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O
Properties
Chemical formula	C ₂₂H ₂₃O⁺ ₁₂ C₂₂H₂₃O₁₂Cl (chloride)
Molar mass	479.41 g/mol, 514.86 g/mol (chloride)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references