Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019991
PROPERTIES
| NPAID | NPA019991 |
|---|---|
| CLUSTER ID | 6367 |
| NODE ID | 3159 |
| NAME | Spirogliotoxin |
| FORMULA | C13H16N2O4S2 |
| MOLECULAR WEIGHT (Da) | 328.4150 |
| ACCURATE MASS (Da) | 328.0551 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus YK-7 |
| InChIKey | XSLRYBHITZPVBL-RBJBARPLSA-N |
| InChI | InChI=1S/C13H16N2O4S2/c1-20-13(6-16)11(19)14-12(10(18)15-13)5-7-3-2-4-8(17)9(7)21-12/h2-4,8-9,16-17H,5-6H2,1H3,(H,14,19)(H,15,18)/t8-,9-,12+,13+/m0/s1 |
| SMILES | CS[C@@]1(C(=O)N[C@@]2(CC3=CC=C[C@@H]([C@H]3S2)O)C(=O)N1)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Yu; Li, Zhan-Lin; Bai, Jiao; Zhang, Li-Min; Wu, Xin; Zhang, Lin; Pei, Yue-Hu; Jing, Yong-Kui; Hua, Hui-Ming 2,5-Diketopiperazines from the Marine-Derived Fungus Aspergillus fumigatus YK-7 Chemistry and Biodiversity 2012 9 (2) 385-393. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201100061 | PMID | 22344914 |
