Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007154
PROPERTIES
| NPAID | NPA007154 |
|---|---|
| CLUSTER ID | 2236 |
| NODE ID | 399 |
| NAME | Circumdatin C |
| FORMULA | C17H13N3O3 |
| MOLECULAR WEIGHT (Da) | 307.3090 |
| ACCURATE MASS (Da) | 307.0957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | RZQWOVDHZGSLCQ-VIFPVBQESA-N |
| InChI | InChI=1S/C17H13N3O3/c1-9-15-19-13-5-3-2-4-11(13)17(23)20(15)14-7-6-10(21)8-12(14)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1 |
| SMILES | C[C@H]1C2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)O)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rahbæk, Lisa; Breinholt, Jens; Frisvad, Jens C.; Christophersen, Carsten Circumdatin A, B, and C: Three New Benzodiazepine Alkaloids Isolated from a Culture of the Fungus Aspergillus ochraceus Journal of Organic Chemistry 1999 64 (5) 1689-1692. | ||
|---|---|---|---|
| DOI | 10.1021/jo981536u | PMID | 11674237 |
