Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA000714
PROPERTIES
NPAID | NPA000714 |
---|---|
CLUSTER ID | 517 |
NODE ID | 463 |
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. | ||
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DOI | 10.1021/ja01553a055 | PMID | - |