Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000425555 | Bronze | HMDB:HMDB03156-2205&2,3-Butanediol |
| CCMSLIB00000425747 | Bronze | HMDB:HMDB03156-2203&2,3-Butanediol |
| CCMSLIB00000425929 | Bronze | HMDB:HMDB03156-2204&2,3-Butanediol |
COMPOUND NPA007728
PROPERTIES
| NPAID | NPA007728 |
|---|---|
| CLUSTER ID | 3427 |
| NODE ID | 2593 |
| NAME | 2.3-butanediol |
| FORMULA | C4H10O2 |
| MOLECULAR WEIGHT (Da) | 90.1220 |
| ACCURATE MASS (Da) | 90.0681 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | subtillis ATCC 2586 |
| InChIKey | OWBTYPJTUOEWEK-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3 |
| SMILES | CC(C(C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Neish, A C; Blackwood, A C; Ledingham, G A A 2,3-BUTANEDIOL-GLYCEROL FERMENTATION Science 1945 101 (2619) 245. | ||
|---|---|---|---|
| DOI | 10.1126/science.101.2619.245 | PMID | 17736334 |
