Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013424
PROPERTIES
| NPAID | NPA013424 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bilain A |
| FORMULA | C20H26N2O5S2 |
| MOLECULAR WEIGHT (Da) | 438.5710 |
| ACCURATE MASS (Da) | 438.1283 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | bilaii |
| InChIKey | YVJJNCGPFXDJFU-GFAXEHQMSA-N |
| InChI | InChI=1S/C20H26N2O5S2/c1-13(18(24)25)10-11-27-15-8-6-14(7-9-15)12-20(29-5)19(26)21(2)17(28-4)16(23)22(20)3/h6-10,17H,11-12H2,1-5H3,(H,24,25)/b13-10+/t17-,20-/m1/s1 |
| SMILES | C/C(=C\COC1=CC=C(C=C1)C[C@]2(C(=O)N([C@@H](C(=O)N2C)SC)C)SC)/C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Capon, Robert J.; Stewart, Michael; Ratnayake, Ranjala; Lacey, Ernest; Gill, Jennifer H. Citromycetins and Bilains A-C: New Aromatic Polyketides and Diketopiperazines from Australian Marine-Derived and Terrestrial Penicillium spp Journal of Natural Products 2007 70 (11) 1746-1752. | ||
|---|---|---|---|
| DOI | 10.1021/np0702483 | PMID | 17958395 |
