Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006941
PROPERTIES
| NPAID | NPA006941 |
|---|---|
| CLUSTER ID | 3162 |
| NODE ID | 2409 |
| NAME | Dechlorobarbamide |
| FORMULA | C20H24Cl2N2O2S |
| MOLECULAR WEIGHT (Da) | 427.3970 |
| ACCURATE MASS (Da) | 426.0936 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cyanobacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | AOEGCPSVMLZAOC-FSJNOBNXSA-N |
| InChI | InChI=1S/C20H24Cl2N2O2S/c1-14(19(21)22)11-16(26-3)13-18(25)24(2)17(20-23-9-10-27-20)12-15-7-5-4-6-8-15/h4-10,13-14,17,19H,11-12H2,1-3H3/b16-13+/t14-,17?/m0/s1 |
| SMILES | C[C@@H](C/C(=C\C(=O)N(C)C(CC1=CC=CC=C1)C2=NC=CS2)/OC)C(Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sitachitta, Namthip; Márquez, Brian L.; Williamson, R. Thomas; Rossi, James; Roberts, Mary Ann; Gerwick, William H.; Nguyen, Viet-Anh; Willis, Christine L. Biosynthetic Pathway and Origin of the Chlorinated Methyl Group in Barbamide and Dechlorobarbamide, Metabolites from the Marine Cyanobacterium Lyngbya majuscula Tetrahedron 2000 56 (46) 9103-9113. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(00)00763-8 | PMID | - |
