Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013386
PROPERTIES
| NPAID | NPA013386 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | 3,5-Dimethylorsellinic acid |
| FORMULA | C10H12O4 |
| MOLECULAR WEIGHT (Da) | 196.2020 |
| ACCURATE MASS (Da) | 196.0736 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | nidulans |
| InChIKey | NZGSNQJCTOMELT-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14) |
| SMILES | CC1=C(C(=C(C(=C1C)O)C)O)C(=O)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 |
