Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000388
PROPERTIES
| NPAID | NPA000388 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | 6-acetylmonodethiogliotoxin |
| FORMULA | C15H16N2O5S |
| MOLECULAR WEIGHT (Da) | 336.3690 |
| ACCURATE MASS (Da) | 336.0780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Dichotomomyces |
| ORIGIN SPECIES | cejpii |
| InChIKey | QTPKPCAJWYFVSQ-GVARAGBVSA-N |
| InChI | InChI=1S/C15H16N2O5S/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14-,15-/m0/s1 |
| SMILES | CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@]4(N(C(=O)[C@]3(C2)S4)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harms, Henrik; Orlikova, Barbora; Ji, Seungwon; Nesaei-Mosaferan, Damun; König, Gabriele; Diederich, Marc Epipolythiodiketopiperazines from the Marine Derived Fungus Dichotomomyces cejpii with NF-κB Inhibitory Potential Marine Drugs 2015 13 (8) 4949-4966. | ||
|---|---|---|---|
| DOI | 10.3390/md13084949 | PMID | 26258781 |
