Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000924
PROPERTIES
| NPAID | NPA000924 |
|---|---|
| CLUSTER ID | 394 |
| NODE ID | 11 |
| NAME | Lapatin A |
| FORMULA | C23H19N5O3 |
| MOLECULAR WEIGHT (Da) | 413.4370 |
| ACCURATE MASS (Da) | 413.1488 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | lapatayae IBT 10870 |
| InChIKey | WBCINSMUFGLFNX-KVFLIWAASA-N |
| InChI | InChI=1S/C23H19N5O3/c1-11-20(30)28-15-9-5-3-7-13(15)23(22(28)24-11)10-16-19(29)26-17(23)18-25-14-8-4-2-6-12(14)21(31)27(16)18/h2-9,11,16-17,22,24H,10H2,1H3,(H,26,29)/t11-,16-,17?,22-,23+/m0/s1 |
| SMILES | C[C@H]1C(=O)N2[C@H](N1)[C@]3(C[C@H]4C(=O)NC3C5=NC6=CC=CC=C6C(=O)N45)C7=CC=CC=C72 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Larsen, Thomas Ostenfeld; Petersen, Bent O.; Duus, Jens Ø.; Sørensen, Dan; Frisvad, Jens C.; Hansen, Michael E. Discovery of New Natural Products by Application of X-hitting, a Novel Algorithm for Automated Comparison of Full UV Spectra, Combined with Structural Determination by NMR Spectroscopy Journal of Natural Products 2005 68 (6) 871-874. | ||
|---|---|---|---|
| DOI | 10.1021/np040248s | PMID | 15974610 |
