Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011294
PROPERTIES
| NPAID | NPA011294 |
|---|---|
| CLUSTER ID | 4386 |
| NODE ID | 127 |
| NAME | 1‐methyl‐naphthalene‐2,6‐dicarboxylic acid |
| FORMULA | C13H10O4 |
| MOLECULAR WEIGHT (Da) | 230.2190 |
| ACCURATE MASS (Da) | 230.0579 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sterilia |
| InChIKey | RSZZOYYYZOWNCO-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H10O4/c1-7-10-4-3-9(12(14)15)6-8(10)2-5-11(7)13(16)17/h2-6H,1H3,(H,14,15)(H,16,17) |
| SMILES | CC1=C(C=CC2=C1C=CC(=C2)C(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hao, Gao; Qing-Hua, Zhang; Miao-Miao, Jiang; Jin-Shan, Tang; Cheng-Du, Miao; Kui, Hong; Michio, Namikoshi; Nai-Li, Wang; Xin-Sheng, Yao Polyketides from a marine sponge-derived fungus Mycelia sterilia and proton-proton long-range coupling Magnetic Resonance in Chemistry 2008 46 (12) 1148-1152. | ||
|---|---|---|---|
| DOI | 10.1002/mrc.2338 | PMID | 18846583 |
