Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016649
PROPERTIES
| NPAID | NPA016649 |
|---|---|
| CLUSTER ID | 2236 |
| NODE ID | 399 |
| NAME | Circumdatin I |
| FORMULA | C17H13N3O4 |
| MOLECULAR WEIGHT (Da) | 323.3080 |
| ACCURATE MASS (Da) | 323.0906 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Exophiala |
| ORIGIN SPECIES | sp. |
| InChIKey | FNYZNOYSZSYMAX-QMMMGPOBSA-N |
| InChI | InChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1 |
| SMILES | C[C@H]1C2=NC3=C(C=CC=C3O)C(=O)N2C4=C(C=C(C=C4)O)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Dahai; Yang, Xiudong; Kang, Jung Sook; Choi, Hong Dae; Son, Byeng Wha Circumdatin I, a New Ultraviolet-A Protecting Benzodiazepine Alkaloid from a Marine Isolate of the Fungus Exophiala Journal of Antibiotics 2008 61 (1) 40-42. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2008.108 | PMID | 18305359 |
