Delphinidin 3-(6-p-coumaroylgalactoside)
PubChem CID: 131752146
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| Compound Synonyms | Delphinidin 3-(6-p-coumaroylgalactoside), Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside, CHEBI:169205, [6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
|---|---|
| Topological Polar Surface Area | 228.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | DHTPVCYNNWQRMN-UHFFFAOYSA-O |
| Rotatable Bond Count | 8.0 |
| Synonyms | Delphinidin 3-(6-coumaroylglucoside) |
| Heavy Atom Count | 44.0 |
| Compound Name | Delphinidin 3-(6-p-coumaroylgalactoside) |
| Description | Isolated from grapes. Delphinidin 3-(6-p-coumaroylglucoside) is found in many foods, some of which are summer grape, highbush blueberry, mung bean, and fruits. |
| Exact Mass | 611.14 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 611.14 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 961.0 |
| Hydrogen Bond Acceptor Count | 13.0 |
| Molecular Weight | 611.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1 |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C(=C5)O)O)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C30H27O14+ |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all