Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005762029 | Gold | 3 |
| CCMSLIB00005766364 | Gold | 3 |
| CCMSLIB00005762000 | Gold | 3 |
| CCMSLIB00005764948 | Gold | 3 |
| CCMSLIB00005764339 | Gold | 3 |
| CCMSLIB00005762357 | Gold | 3 |
COMPOUND NPA005282
PROPERTIES
| NPAID | NPA005282 |
|---|---|
| CLUSTER ID | 1062 |
| NODE ID | 914 |
| NAME | Octylparaben |
| FORMULA | C15H22O3 |
| MOLECULAR WEIGHT (Da) | 250.3380 |
| ACCURATE MASS (Da) | 250.1569 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microbulbifer |
| ORIGIN SPECIES | sp. |
| InChIKey | RIKCMEDSBFQFAL-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3 |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(C=C1)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Quévrain, Elodie; Domart-Coulon, Isabelle; Pernice, Mathieu; Bourguet-Kondracki, Marie-Lise Novel natural parabens produced by a Microbulbifer bacterium in its calcareous sponge host Leuconia nivea Environmental Microbiology 2009 11 (6) 1527-1539. | ||
|---|---|---|---|
| DOI | 10.1111/j.1462-2920.2009.01880.x | PMID | 19226298 |
