Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008443
PROPERTIES
NPAID | NPA008443 |
---|---|
CLUSTER ID | 3627 |
NODE ID | 2730 |
NAME | Nemotinic acid |
FORMULA | C11H10O3 |
MOLECULAR WEIGHT (Da) | 190.1980 |
ACCURATE MASS (Da) | 190.0630 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Unknown-fungus |
ORIGIN SPECIES | sp. |
InChIKey | DOCWUDHOAPAYAN-UHFFFAOYSA-N |
InChI | InChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14) |
SMILES | C#CC#CC=C=CC(CCC(=O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Bu'Lock, JD; Jones, ERH; Leeming, PR Chemistry of the higher fungi. Part V. The structures of nemotinic acid and nemotin Journal of the Chemical Society 1955 4270-4276. | ||
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DOI | 10.1039/jr9550004270 | PMID | - |