Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013780
PROPERTIES
| NPAID | NPA013780 |
|---|---|
| CLUSTER ID | 2236 |
| NODE ID | 399 |
| NAME | Circumdatin G |
| FORMULA | C17H13N3O3 |
| MOLECULAR WEIGHT (Da) | 307.3090 |
| ACCURATE MASS (Da) | 307.0957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | VNCYXASDDCJEJE-VIFPVBQESA-N |
| InChI | InChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1 |
| SMILES | C[C@H]1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dai, Jin-Rui; Carte, Brad K.; Sidebottom, Philip J.; Yew, Alex Lee Sek; Ng, Siew-Bee; Huang, Yicun; Butler, Mark S. Circumdatin G, a new alkaloid from the fungus Aspergillus ochraceus Journal of Natural Products 2001 64 (1) 125-126. | ||
|---|---|---|---|
| DOI | 10.1021/np000381u | PMID | 11170686 |
