Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030698
PROPERTIES
| NPAID | NPA030698 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Chetracin E |
| FORMULA | C30H28N6O7S6 |
| MOLECULAR WEIGHT (Da) | 776.9910 |
| ACCURATE MASS (Da) | 776.0344 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acrostalagmus |
| ORIGIN SPECIES | luteoalbus HDN13-530 |
| InChIKey | LTWUOOAIEQIKJJ-LRESJZTJSA-N |
| InChI | InChI=1S/C30H28N6O7S6/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-48-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-49-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1 |
| SMILES | CN1C(=O)[C@]23SSS[C@@]1(C)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1([C@@]12C4=CC=CC=C4N[C@@H]1N1C(=O)[C@]4(CO)SSS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yu G; Wang Y; Yu R; Feng Y; Wang L; Che Q; Gu Q; Li D; Li J; Zhu T Chetracins E and F, cytotoxic epipolythiodioxopiperazines from the marine-derived fungus Acrostalagmus luteoalbus HDN13-530 RSC Advances 2018 8 (1) 53-58. | ||
|---|---|---|---|
| DOI | 10.1039/c7ra12063j | PMID | - |
