Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009910
PROPERTIES
| NPAID | NPA009910 |
|---|---|
| CLUSTER ID | 4061 |
| NODE ID | 3022 |
| NAME | Aspirochlorine |
| FORMULA | C12H9ClN2O5S2 |
| MOLECULAR WEIGHT (Da) | 360.8000 |
| ACCURATE MASS (Da) | 359.9641 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | XMFSSFONDVHNFO-HOTUBEGUSA-N |
| InChI | InChI=1S/C12H9ClN2O5S2/c1-19-15-10(17)9-14-11(18)12(15)8(21-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9-,12+/m0/s1 |
| SMILES | CON1C(=O)[C@H]2NC(=O)[C@]13[C@H](C4=CC(=C(C=C4O3)O)Cl)SS2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sakata, Kanzo; Masago, Hajime; Sakurai, Akira; Takahashi, Nobutaka Isolation of aspirochlorine (= antibiotic A30641) possessing a novel dithiodiketopiperazine structure from Aspergillus Flavus Tetrahedron Letters 1982 23 (20) 2095-2098. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)87270-6 | PMID | - |
