Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001336
PROPERTIES
| NPAID | NPA001336 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Austrocortirubin |
| FORMULA | C16H16O7 |
| MOLECULAR WEIGHT (Da) | 320.2970 |
| ACCURATE MASS (Da) | 320.0896 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cortinarius |
| ORIGIN SPECIES | sp. |
| InChIKey | DGBJOTSGQUQQJO-PWJLMRLQSA-N |
| InChI | InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,17-18,20,22H,4-5H2,1-2H3/t8-,16-/m0/s1 |
| SMILES | C[C@]1(C[C@@H](C2=C(C1)C(=O)C3=C(C2=O)C(=CC(=C3O)OC)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gill, Melvyn; Strauch, Richard J. NEW TETRAHYDROANTHRAQUINONES FROM THE GENUS CORTINARIUS Tetrahedron Letters 1985 26 (21) 2593-2596. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)98845-2 | PMID | - |
