Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000425337 | Bronze | HMDB:HMDB00023-44&(S)-3-Hydroxyisobutyric&acid |
| CCMSLIB00000426950 | Bronze | HMDB:HMDB00023-42&(S)-3-Hydroxyisobutyric&acid |
| CCMSLIB00000427058 | Bronze | HMDB:HMDB00023-43&(S)-3-Hydroxyisobutyric&acid |
| CCMSLIB00006678406 | Gold | 3 |
COMPOUND NPA011485
PROPERTIES
| NPAID | NPA011485 |
|---|---|
| CLUSTER ID | 4434 |
| NODE ID | 3254 |
| NAME | 3-hydroxyisobutyric acid |
| FORMULA | C4H8O3 |
| MOLECULAR WEIGHT (Da) | 104.1050 |
| ACCURATE MASS (Da) | 104.0473 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tolypocladium |
| ORIGIN SPECIES | cylindrosporum strain TC705 |
| InChIKey | DBXBTMSZEOQQDU-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7) |
| SMILES | CC(CO)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Schroeder, Frank C.; Gibson, Donna M.; Churchill, Alice C. L.; Sojikul, Punchapat; Wursthorn, Eric J.; Krasnoff, Stuart B.; Clardy, Jon Differential Analysis of 2D NMR Spectra: New Natural Products from a Pilot-Scale Fungal Extract Library Angewandte Chemie International Edition 2007 46 (6) 901-904. | ||
|---|---|---|---|
| DOI | 10.1002/anie.200603821 | PMID | 17183517 |
