Mono-trans-p-coumaroylmesotartaric acid
PubChem CID: 131750904
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| Compound Synonyms | Mono-trans-p-coumaroylmesotartaric acid, CHEBI:168097, 3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypentanedioic acid |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | WZHTXSWUIFRTCQ-ZZXKWVIFSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | trans-Coutaric acid, trans-p-Coumaroyltartaric acid |
| Heavy Atom Count | 22.0 |
| Compound Name | Mono-trans-p-coumaroylmesotartaric acid |
| Description | Constituent of grapes and wines. trans-p-Coumaroyltartaric acid is found in alcoholic beverages, fruits, and common grape. |
| Exact Mass | 310.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.069 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 310.26 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypentanedioic acid |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C14H14O8/c15-9-4-1-8(2-5-9)3-6-12(19)22-13(14(20)21)10(16)7-11(17)18/h1-6,10,13,15-16H,7H2,(H,17,18)(H,20,21)/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)OC(C(CC(=O)O)O)C(=O)O)O |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C14H14O8 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all