Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030980
PROPERTIES
| NPAID | NPA030980 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | 20-hydroxy-18-oxotryprostatin A |
| FORMULA | C22H27N3O5 |
| MOLECULAR WEIGHT (Da) | 413.4740 |
| ACCURATE MASS (Da) | 413.1951 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus MF071 |
| InChIKey | GPLMHHDLYSEADN-IRXDYDNUSA-N |
| InChI | InChI=1S/C22H27N3O5/c1-22(2,29)11-18(26)19-14(13-7-6-12(30-3)9-15(13)23-19)10-16-21(28)25-8-4-5-17(25)20(27)24-16/h6-7,9,16-17,23,29H,4-5,8,10-11H2,1-3H3,(H,24,27)/t16-,17-/m0/s1 |
| SMILES | COC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(C(=O)CC(C)(C)O)N2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han, Jianying; Liu, Miaomiao; Jenkins, Ian D.; Liu, Xueting; Zhang, Lixin; Quinn, Ronald J.; Feng, Yunjiang Genome-Inspired Chemical Exploration of Marine Fungus Aspergillus fumigatus MF071 Marine Drugs 2020 18 (7) 352. | ||
|---|---|---|---|
| DOI | 10.3390/md18070352 | PMID | 32640519 |
