Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031587
PROPERTIES
| NPAID | NPA031587 |
|---|---|
| CLUSTER ID | 9194 |
| NODE ID | 6172 |
| NAME | P-nitrobenzoate |
| FORMULA | C28H29NO10 |
| MOLECULAR WEIGHT (Da) | 539.5370 |
| ACCURATE MASS (Da) | 539.1791 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Diffractella |
| ORIGIN SPECIES | curvata |
| InChIKey | RHZNXHJLYYEIDG-PLMTUMEDSA-N |
| InChI | InChI=1S/C28H29NO10/c1-3-5-7-16-13-19-23(28(34)39-25(19)31)18(14-20-22(16)27(33)38-26(20)32)21(8-6-4-2)37-24(30)15-9-11-17(12-10-15)29(35)36/h9-12,16,18,21H,3-8,13-14H2,1-2H3/t16-,18+,21-/m1/s1 |
| SMILES | CCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H]([C@@H](CCCC)OC(=O)C2=CC=C([N+](=O)[O-])C=C2)CC2=C1C(=O)OC2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | de Mattos-Shipley, Kate M J; Spencer, Catherine E; Greco, Claudio; Heard, David M; O'Flynn, Daniel E; Dao, Trong T; Song, Zhongshu; Mulholland, Nicholas P; Vincent, Jason L; Simpson, Thomas J; Cox, Russell J; Bailey, Andrew M; Willis, Christine L Uncovering biosynthetic relationships between antifungal nonadrides and octadrides. Chemical Science 2020 11 (42) 11570-11578. | ||
|---|---|---|---|
| DOI | 10.1039/d0sc04309e | PMID | 34094403 |
