Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004751363 | Gold | 3 |
COMPOUND NPA004943
PROPERTIES
| NPAID | NPA004943 |
|---|---|
| CLUSTER ID | 351 |
| NODE ID | 275 |
| NAME | Pinastric acid |
| FORMULA | C20H16O6 |
| MOLECULAR WEIGHT (Da) | 352.3420 |
| ACCURATE MASS (Da) | 352.0947 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Parmelia |
| ORIGIN SPECIES | caperata |
| InChIKey | KXQKSBAGVQMQSN-FBMGVBCBSA-N |
| InChI | InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16+ |
| SMILES | COC1=CC=C(C=C1)C2=C(/C(=C(/C3=CC=CC=C3)\C(=O)OC)/OC2=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Serra, T; Polónia, J Isolation of Pinastric Acid and Ergosterol from Parmelia Caperata (L.) Arch. Journal of Pharmaceutical Sciences 1976 65 (5) 737-738. | ||
|---|---|---|---|
| DOI | 10.1002/jps.2600650528 | PMID | 932945 |
