Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021757
PROPERTIES
| NPAID | NPA021757 |
|---|---|
| CLUSTER ID | 6742 |
| NODE ID | 4670 |
| NAME | Roquefortine J |
| FORMULA | C22H21N5O2 |
| MOLECULAR WEIGHT (Da) | 387.4430 |
| ACCURATE MASS (Da) | 387.1695 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | granulatum MCCC 3A00475 |
| InChIKey | JVOSYWOUJMFCTQ-OFBNHTSZSA-N |
| InChI | InChI=1S/C22H21N5O2/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/h4-12,20,26H,1H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t20-,22+/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12C=C3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niu, Siwen; Wang, Ning; Xie, Chun-Lan; Fan, Zuowang; Luo, Zhuhua; Chen, Hai-Feng; Yang, Xian-Wen Roquefortine J, a novel roquefortine alkaloid, from the deep-sea-derived fungus Penicillium granulatum MCCC 3A00475 Journal of Antibiotics 2018 71 (7) 658-661. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-018-0046-y | PMID | 29618769 |
