Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727836 | Gold | 3 |
| CCMSLIB00005727682 | Gold | 3 |
| CCMSLIB00005727744 | Gold | 3 |
| CCMSLIB00005727534 | Gold | 3 |
| CCMSLIB00005727550 | Gold | 3 |
| CCMSLIB00006718075 | Gold | 3 |
| CCMSLIB00006718076 | Gold | 3 |
COMPOUND NPA015682
PROPERTIES
| NPAID | NPA015682 |
|---|---|
| CLUSTER ID | 3329 |
| NODE ID | 2522 |
| NAME | Ochratoxin B |
| FORMULA | C20H19NO6 |
| MOLECULAR WEIGHT (Da) | 369.3730 |
| ACCURATE MASS (Da) | 369.1212 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | DAEYIVCTQUFNTM-ABAIWWIYSA-N |
| InChI | InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1 |
| SMILES | C[C@@H]1CC2=C(C(=O)O1)C(O)=C(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C=C2 |
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 | - |
