Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012519
PROPERTIES
| NPAID | NPA012519 |
|---|---|
| CLUSTER ID | 3050 |
| NODE ID | 2335 |
| NAME | Acetyl-3-hydroxyisobutyric acid |
| FORMULA | C6H10O4 |
| MOLECULAR WEIGHT (Da) | 146.1420 |
| ACCURATE MASS (Da) | 146.0579 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tolypocladium |
| ORIGIN SPECIES | cylindrosporum strain TC705 |
| InChIKey | MQLMCMRCMGKYFQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H10O4/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9) |
| SMILES | CC(COC(=O)C)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 |
