Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014102
PROPERTIES
| NPAID | NPA014102 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Deoxyapoaranotin |
| FORMULA | C20H16N2O5S2 |
| MOLECULAR WEIGHT (Da) | 428.4910 |
| ACCURATE MASS (Da) | 428.0501 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. KMD 901 |
| InChIKey | NUWJPBORJRNCDP-XAMWDVODSA-N |
| InChI | InChI=1S/C20H16N2O5S2/c1-11(23)27-15-6-7-26-10-13-9-20-17(24)21-14-5-3-2-4-12(14)8-19(21,28-29-20)18(25)22(20)16(13)15/h2-7,10,15-16H,8-9H2,1H3/t15-,16-,19+,20+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=CC=CC=C6N4C(=O)[C@@]3(C2)SS5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Choi, E J; Park, J-S; Kim, Y-J; Jung, J-H; Lee, J K; Kwon, H C; Yang, H O Apoptosis-inducing effect of diketopiperazine disulfides produced by Aspergillus sp. KMD 901 isolated from marine sediment on HCT116 colon cancer cell lines Journal of Applied Microbiology 2011 110 (1) 304-313. | ||
|---|---|---|---|
| DOI | 10.1111/j.1365-2672.2010.04885.x | PMID | 21122037 |
