Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727042 | Gold | 3 |
| CCMSLIB00005727696 | Gold | 3 |
| CCMSLIB00005727685 | Gold | 3 |
| CCMSLIB00005727162 | Gold | 3 |
| CCMSLIB00005727950 | Gold | 3 |
| CCMSLIB00000851783 | Gold | 1 |
| CCMSLIB00012113177 | Gold | 4 |
| CCMSLIB00009952974 | Gold | 4 |
| CCMSLIB00012129630 | Gold | 4 |
| CCMSLIB00012129631 | Gold | 4 |
| CCMSLIB00012129632 | Gold | 4 |
| CCMSLIB00009969427 | Gold | 4 |
| CCMSLIB00009969428 | Gold | 4 |
| CCMSLIB00009969429 | Gold | 4 |
COMPOUND NPA010085
PROPERTIES
| NPAID | NPA010085 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 26 |
| NAME | Roquefortine D |
| FORMULA | C22H25N5O2 |
| MOLECULAR WEIGHT (Da) | 391.4750 |
| ACCURATE MASS (Da) | 391.2008 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | IQVNREJWRXOHEO-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28) |
| SMILES | CC(C)(C=C)C12CC3C(=O)NC(C(=O)N3C1NC4=CC=CC=C24)CC5=CN=CN5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ohmomo, Sadahiro; Oguma, Kiyoshi; Ohashi, Tsutomu; Abe, Matazo Isolation of a new indole alkaloid, roquefortine D, from the cultures of Penicillium roqueforti Agricultural and Biological Chemistry 1978 42 (12) 2387-2389. | ||
|---|---|---|---|
| DOI | 10.1271/bbb1961.42.2387 | PMID | - |
