Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013692
PROPERTIES
| NPAID | NPA013692 |
|---|---|
| CLUSTER ID | 4999 |
| NODE ID | 3587 |
| NAME | Pyranonigrin E |
| FORMULA | C18H21NO4 |
| MOLECULAR WEIGHT (Da) | 315.3690 |
| ACCURATE MASS (Da) | 315.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger ATCC 1015 |
| InChIKey | ITJJIMKGOLMIJY-BNFZFUHLSA-N |
| InChI | InChI=1S/C18H21NO4/c1-4-5-6-7-8-9-10-11-13-15(20)16(21)14-17(23-13)12(2)19(3)18(14)22/h8-11,20H,2,4-7H2,1,3H3/b9-8+,11-10+ |
| SMILES | CCCCC/C=C/C=C/C1=C(C(=O)C2=C(O1)C(=C)N(C2=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Awakawa, Takayoshi; Yang, Xiao-Long; Wakimoto, Toshiyuki; Abe, Ikuro Pyranonigrin E: A PKS-NRPS hybrid metabolite from aspergillus niger identified by genome mining ChemBioChem 2013 14 (16) 2095-2099. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201300430 | PMID | 24106156 |
