Petunidin 3-galactoside
PubChem CID: 14311149
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| Compound Synonyms | Petunidin 3-galactoside, 2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 1-Benzopyrylium,2-(3,4-dihydroxy-5-methoxyphenyl)-3-(b-D-glucopyranosyloxy)-5,7-dihydroxy-, Petunidin-3-o-galactoside, 6CZ3BJ31ZH, 2-(2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, CHEBI:192951, Petunidin 3-O-beta-D-galactopyranoside |
|---|---|
| Topological Polar Surface Area | 191.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | CCQDWIRWKWIUKK-UHFFFAOYSA-O |
| Rotatable Bond Count | 5.0 |
| Synonyms | Petunidin 3-galactoside, Petunidin 3-O-beta-D-galactopyranoside |
| Heavy Atom Count | 34.0 |
| Compound Name | Petunidin 3-galactoside |
| Description | Pigment from whortleberry, blackberry, etc. Petunidin 3-galactoside is found in many foods, some of which are common grape, bilberry, black chokeberry, and sweet cherry. |
| Exact Mass | 479.119 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 479.119 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 479.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Smiles | COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H23O12+ |
- 1. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all