Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004751327 | Gold | 3 |
| CCMSLIB00005719609 | Gold | 3 |
| CCMSLIB00005719610 | Gold | 3 |
| CCMSLIB00005719007 | Gold | 3 |
| CCMSLIB00005719008 | Gold | 3 |
| CCMSLIB00005719961 | Gold | 3 |
COMPOUND NPA017203
PROPERTIES
| NPAID | NPA017203 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 3-Methylorsellinic acid |
| FORMULA | C9H10O4 |
| MOLECULAR WEIGHT (Da) | 182.1750 |
| ACCURATE MASS (Da) | 182.0579 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | nidulans |
| InChIKey | VHNLJRRECIZZPX-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13) |
| SMILES | CC1=CC(=C(C(=C1C(=O)O)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ahuja, Manmeet; Chiang, Yi-Ming; Chang, Shu-Lin; Praseuth, Mike B.; Entwistle, Ruth; Sanchez, James F.; Lo, Hsien-Chun; Yeh, Hsu-Hua; Oakley, Berl R.; Wang, Clay C. C. Illuminating the diversity of aromatic polyketide synthases in aspergillus nidulans Journal of the American Chemical Society 2012 134 (19) 8212-8221. | ||
|---|---|---|---|
| DOI | 10.1021/ja3016395 | PMID | 22510154 |
