Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007448
PROPERTIES
| NPAID | NPA007448 |
|---|---|
| CLUSTER ID | 3329 |
| NODE ID | 2522 |
| NAME | Ochratoxin C |
| FORMULA | C22H22ClNO6 |
| MOLECULAR WEIGHT (Da) | 431.8720 |
| ACCURATE MASS (Da) | 431.1136 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | BPZZWRPHVVDAPT-TYJDENFWSA-N |
| InChI | InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12?,17-/m0/s1 |
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Van der Merwe, KJ; Steyn, PS; Fourie, L 1304. Mycotoxins. Part II. The constitution of ochratoxins A, B, and C, metabolites of Aspergillus ochraceus wilh Journal of the Chemical Society 1965 7083-7088. | ||
|---|---|---|---|
| DOI | 10.1039/jr9650007083 | PMID | - |
