Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004751340 | Gold | 3 |
| CCMSLIB00005719024 | Gold | 3 |
| CCMSLIB00005719025 | Gold | 3 |
| CCMSLIB00005719980 | Gold | 3 |
| CCMSLIB00005719981 | Gold | 3 |
| CCMSLIB00005719982 | Gold | 3 |
| CCMSLIB00005719983 | Gold | 3 |
| CCMSLIB00005719984 | Gold | 3 |
| CCMSLIB00005719635 | Gold | 3 |
| CCMSLIB00005719636 | Gold | 3 |
COMPOUND NPA002500
PROPERTIES
| NPAID | NPA002500 |
|---|---|
| CLUSTER ID | 1479 |
| NODE ID | 1217 |
| NAME | Roccanin |
| FORMULA | C28H32N4O4 |
| MOLECULAR WEIGHT (Da) | 488.5880 |
| ACCURATE MASS (Da) | 488.2424 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Roccella |
| ORIGIN SPECIES | canariensis |
| InChIKey | PDLPVRYEPINIBU-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H32N4O4/c33-25-17-21(19-9-3-1-4-10-19)29-27(35)23-13-7-16-32(23)26(34)18-22(20-11-5-2-6-12-20)30-28(36)24-14-8-15-31(24)25/h1-6,9-12,21-24H,7-8,13-18H2,(H,29,35)(H,30,36) |
| SMILES | C1CC2C(=O)NC(CC(=O)N3CCCC3C(=O)NC(CC(=O)N2C1)C4=CC=CC=C4)C5=CC=CC=C5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bohman-Lindgren, G. Chemical studies on lichens-XXXIII: Roccanin, a new cyclic tetrapeptide from Roccella canariensis Tetrahedron 1972 28 (17) 4625-4630. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(72)80043-7 | PMID | - |
