Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017104
PROPERTIES
| NPAID | NPA017104 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Aranotin |
| FORMULA | C20H18N2O7S2 |
| MOLECULAR WEIGHT (Da) | 462.5050 |
| ACCURATE MASS (Da) | 462.0555 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | bingchenggensis |
| InChIKey | HXWOWBFXYUFFKS-PSJNWGMYSA-N |
| InChI | InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SS5)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nagarajan, R; Huckstep, LL; Lively, DH; DeLong, DC; Marsh, MM; Neuss, N Aranotin and related metabolites from Arachniotus aureus. I. Determination of structure Journal of the American Chemical Society 1968 90 (11) 2980-2982. | ||
|---|---|---|---|
| DOI | 10.1021/ja01013a055 | PMID | - |
