Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020151
PROPERTIES
| NPAID | NPA020151 |
|---|---|
| CLUSTER ID | 3111 |
| NODE ID | 2374 |
| NAME | Pre-aurantiamine |
| FORMULA | C11H14N4O2 |
| MOLECULAR WEIGHT (Da) | 234.2590 |
| ACCURATE MASS (Da) | 234.1117 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus CRI322-03 |
| InChIKey | VFDJEJCELMPUBS-CHDHTGKKSA-N |
| InChI | InChI=1S/C11H14N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h3-6,9H,1-2H3,(H,12,13)(H,14,17)(H,15,16)/b8-3-/t9-/m0/s1 |
| SMILES | CC(C)[C@H]1C(=O)N/C(=C\C2=CN=CN2)/C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Antia, Bassey S.; Aree, Thammarat; Kasettrathat, Chairut; Wiyakrutta, Suthep; Ekpa, Okon D.; Ekpe, Udofot J.; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat Itaconic acid derivatives and diketopiperazine from the marine-derived fungus Aspergillus aculeatus CRI322-03 Phytochemistry 2011 72 (8) 816-820. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2011.02.013 | PMID | 21397285 |
