Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004850
PROPERTIES
| NPAID | NPA004850 |
|---|---|
| CLUSTER ID | 2456 |
| NODE ID | 1927 |
| NAME | Pestalactam B |
| FORMULA | C10H13NO4 |
| MOLECULAR WEIGHT (Da) | 211.2170 |
| ACCURATE MASS (Da) | 211.0845 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | XIZXAOCEYPTCMX-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H13NO4/c1-10(2,15)5-6-3-7(12)8(13)4-9(14)11-6/h3-4,15H,5H2,1-2H3,(H,11,14)(H,12,13) |
| SMILES | CC(C)(CC1=CC(=O)C(=CC(=O)N1)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Davis, Rohan A; Carroll, Anthony R; Andrews, Katherine T; Boyle, Glen M; Tran, Truc Linh; Healy, Peter C; Kalaitzis, John A; Shivas, Roger G Pestalactams A-C: novel caprolactams from the endophytic fungus Pestalotiopsis sp Organic & Biomolecular Chemistry 2010 8 (8) 1785-1790. | ||
|---|---|---|---|
| DOI | 10.1039/b924169h | PMID | 20449480 |
