Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004260
PROPERTIES
| NPAID | NPA004260 |
|---|---|
| CLUSTER ID | 2236 |
| NODE ID | 399 |
| NAME | 2-Hydroxycircumdatin C |
| FORMULA | C17H13N3O4 |
| MOLECULAR WEIGHT (Da) | 323.3080 |
| ACCURATE MASS (Da) | 323.0906 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | XLQDYOAHCASBGI-MRVPVSSYSA-N |
| InChI | InChI=1S/C17H13N3O4/c1-8-15-19-11-5-3-2-4-9(11)17(24)20(15)12-7-14(22)13(21)6-10(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m1/s1 |
| SMILES | C[C@@H]1C2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4C(=O)N1)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cui, Chuan-Ming; Li, Xiao-Ming; Li, Chun-Shun; Sun, Hao-Fen; Gao, Shu-Shan; Wang, Bin-Gui Benzodiazepine Alkaloids from Marine-Derived Endophytic Fungus Aspergillus ochraceus Helvetica Chimica Acta 2009 92 (7) 1366-1370. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.200900084 | PMID | - |
