5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol
PubChem CID: 131752268
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| Compound Synonyms | CHEBI:168627, 5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol |
|---|---|
| Topological Polar Surface Area | 181.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | WIEYMFHXYNRELM-ZNWBIBPKSA-O |
| Rotatable Bond Count | 4.0 |
| Synonyms | Delphinidin 3-arabinoside |
| Heavy Atom Count | 31.0 |
| Compound Name | 5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol |
| Kingdom | Organic compounds |
| Description | Isolated from Vaccinium subspecies and other plant subspecies Delphinidin 3-arabinoside is found in many foods, some of which are bilberry, blackcurrant, american cranberry, and sweet cherry. |
| Exact Mass | 435.093 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 435.093 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 435.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Flavonoids |
| Inchi | InChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1 |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O)O)O |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Flavonoid glycosides |
| Taxonomy Direct Parent | Anthocyanidin-3-O-glycosides |
| Molecular Formula | C20H19O11+ |
- 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