Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019781
PROPERTIES
| NPAID | NPA019781 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Bilain B |
| FORMULA | C20H30N2O5S2 |
| MOLECULAR WEIGHT (Da) | 442.6030 |
| ACCURATE MASS (Da) | 442.1596 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | bilaii |
| InChIKey | HBLAMZDFTYTDRD-LQRGHNGLSA-N |
| InChI | InChI=1S/C20H30N2O5S2/c1-19(2,26)15(23)12-27-14-9-7-13(8-10-14)11-20(29-6)18(25)21(3)17(28-5)16(24)22(20)4/h7-10,15,17,23,26H,11-12H2,1-6H3/t15?,17-,20-/m1/s1 |
| SMILES | CC(C)(C(COC1=CC=C(C=C1)C[C@]2(C(=O)N([C@@H](C(=O)N2C)SC)C)SC)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 |
