1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-
PubChem CID: 13915667
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| Compound Synonyms | 1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 202.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 33.0 |
| Description | Isolated from Empetrum nigrum, Nymphaea x marliacea and other plant subspecies [CCD]. Delphinidin 3-galactoside is found in many foods, some of which are red raspberry, summer grape, bilberry, and lingonberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 641.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C21H21O12+ |
| Inchi Key | XENHPQQLDPAYIJ-UHFFFAOYSA-O |
| Rotatable Bond Count | 4.0 |
| Synonyms | Delphinidin 3-galactoside, Delphinidin 3-O-beta-D-galactopyranoside, Delphinidin 3-O-galactoside, Empetrin, Delfinidin 3-O-beta-D-glucoside, Delphinidin 3-O-glucoside, Mirtillin, Delphinidin 3-O-beta-D-glucoside, Delfinidin 3-O-b-D-glucoside, Delfinidin 3-O-β-D-glucoside, Delphinidin 3-O-b-D-glucoside, Delphinidin 3-O-β-D-glucoside, Delphinidin 3-monoglucoside, Delphinidin 3-O-beta-D-glucopyranoside, Delphinidol 3-glucoside, Myrtillin, Myrtillin a, Delphinidin 3-O-glucopyranoside, Delphinidin 3-O-beta-glucoside, Delphinidin-3-glucoside |
| Compound Name | 1-Benzopyrylium,3-(b-D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- |
| Kingdom | Organic compounds |
| Exact Mass | 465.103 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 465.103 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 465.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | 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 |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthocyanidin-3-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vaccinium Corymbosum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all