Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024587
PROPERTIES
| NPAID | NPA024587 |
|---|---|
| CLUSTER ID | 3329 |
| NODE ID | 2522 |
| NAME | Ochratoxin A1 |
| FORMULA | C24H26ClNO9 |
| MOLECULAR WEIGHT (Da) | 507.9230 |
| ACCURATE MASS (Da) | 507.1296 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceopetaliformis |
| InChIKey | VMQAPVWHIUVGBG-LUNZSTNZSA-N |
| InChI | InChI=1S/C24H26ClNO9/c1-12-7-14-16(25)9-15(21(30)20(14)24(33)35-12)22(31)26-17(8-13-5-3-2-4-6-13)23(32)34-11-19(29)18(28)10-27/h2-6,9,12,17-19,27-30H,7-8,10-11H2,1H3,(H,26,31)/t12-,17+,18?,19?/m0/s1 |
| SMILES | C[C@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)OCC(C(CO)O)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Jing-Tang; Wu, Wei; Cao, Min-Jia; Yang, Fan; Lin, Hou-Wen Trienic α-pyrone and ochratoxin derivatives from a sponge-derived fungus Aspergillus ochraceopetaliformis Natural Product Research 2018 32 (15) 1791-1797. | ||
|---|---|---|---|
| DOI | 10.1080/14786419.2017.1402325 | PMID | 29130337 |
