Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016832
PROPERTIES
| NPAID | NPA016832 |
|---|---|
| CLUSTER ID | 10 |
| NODE ID | 10 |
| NAME | Parellin |
| FORMULA | C18H15ClO6 |
| MOLECULAR WEIGHT (Da) | 362.7650 |
| ACCURATE MASS (Da) | 362.0557 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ochrolechia |
| ORIGIN SPECIES | parella |
| InChIKey | FZBRFXCENCOJRK-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3 |
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=C(C(=C3O2)C)Cl)OC)C)C=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Millot, Marion; Tomasi, Sophie; Articus, Kristina; Rouaud, Isabelle; Bernard, Aurelie; Boustie, Joeel Metabolites from the lichen Ochrolechia parella growing under two different heliotropic conditions Journal of Natural Products 2007 70 (2) 316-318. | ||
|---|---|---|---|
| DOI | 10.1021/np060561p | PMID | 17256903 |
