Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000714
PROPERTIES
| NPAID | NPA000714 |
|---|---|
| CLUSTER ID | 516 |
| NODE ID | 462 |
| NAME | Terreic acid |
| FORMULA | C7H6O4 |
| MOLECULAR WEIGHT (Da) | 154.1210 |
| ACCURATE MASS (Da) | 154.0266 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | terreus |
| InChIKey | ATFNSNUJZOYXFC-RQJHMYQMSA-N |
| InChI | InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1 |
| SMILES | CC1=C(C(=O)[C@H]2[C@@H](C1=O)O2)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sheehan, John C; Lawson, William B; Gaul, Richard J The structure of terreic acid Journal of the American Chemical Society 1958 80 (20) 5536-5538. | ||
|---|---|---|---|
| DOI | 10.1021/ja01553a055 | PMID | - |
SYNTHESES
| CITATION 1 | Sheehan JC; Lo YS Total synthesis and resolution of terreic acid. Journal of Medicinal Chemistry 1974 17 (3) 371-372. DOI: 10.1021/jm00249a030 PMID: 4811239 | ||
|---|---|---|---|
