Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080046 | Gold | MLS000876747-01!N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide |
| CCMSLIB00005727148 | Gold | 3 |
| CCMSLIB00005727670 | Gold | 3 |
| CCMSLIB00005727833 | Gold | 3 |
| CCMSLIB00005727637 | Gold | 3 |
| CCMSLIB00005727653 | Gold | 3 |
COMPOUND NPA006435
PROPERTIES
| NPAID | NPA006435 |
|---|---|
| CLUSTER ID | 188 |
| NODE ID | 176 |
| NAME | Pyrophen |
| FORMULA | C16H17NO4 |
| MOLECULAR WEIGHT (Da) | 287.3150 |
| ACCURATE MASS (Da) | 287.1158 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | VFMQMACUYWGDOJ-AWEZNQCLSA-N |
| InChI | InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1 |
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barnes, C L; Steiner, J R; Torres, E; Pacheco, R; Marquez, H Structure and absolute configuration of pyrophen, a novel pryrone derivative of L-phenylalanine from Aspergillus niger International Journal of Peptide and Protein Research 1990 36 (3) 292-296. | ||
|---|---|---|---|
| DOI | 10.1111/j.1399-3011.1990.tb00981.x | PMID | 2279852 |
