Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012547
PROPERTIES
| NPAID | NPA012547 |
|---|---|
| CLUSTER ID | 1499 |
| NODE ID | 1231 |
| NAME | Quinocinnolinomycin A |
| FORMULA | C23H33N3O3 |
| MOLECULAR WEIGHT (Da) | 399.5350 |
| ACCURATE MASS (Da) | 399.2522 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | FMMUVGBTBZRVJU-GOSISDBHSA-N |
| InChI | InChI=1S/C23H33N3O3/c1-16(2)10-8-6-4-5-7-9-11-18(27)13-12-17-14-19-21(28)15-20(24-3)23(29)22(19)26-25-17/h12-16,18,24,27H,4-11H2,1-3H3/t18-/m1/s1 |
| SMILES | CNC1=CC(=O)C2=C(N=NC(C=C[C@H](O)CCCCCCCCC(C)C)=C2)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kurita, Kenji L.; Glassey, Emerson; Linington, Roger G. Integration of high-content screening and untargeted metabolomics for comprehensive functional annotation of natural product libraries Proceedings of the National Academy of Sciences of the United States of America 2015 112 (39) 11999-12004. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1507743112 | PMID | 26371303 |
