Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006115994 | Gold | 1 |
| CCMSLIB00006115996 | Gold | 1 |
| CCMSLIB00006115999 | Gold | 1 |
| CCMSLIB00006116001 | Gold | 1 |
| CCMSLIB00006116003 | Gold | 1 |
| CCMSLIB00006116019 | Gold | 1 |
| CCMSLIB00006116021 | Gold | 1 |
| CCMSLIB00006116023 | Gold | 1 |
| CCMSLIB00006116025 | Gold | 1 |
| CCMSLIB00006116027 | Gold | 1 |
| CCMSLIB00006115982 | Gold | 1 |
| CCMSLIB00006115984 | Gold | 1 |
| CCMSLIB00006115987 | Gold | 1 |
| CCMSLIB00006115989 | Gold | 1 |
| CCMSLIB00006115991 | Gold | 1 |
| CCMSLIB00006116006 | Gold | 1 |
| CCMSLIB00006116009 | Gold | 1 |
| CCMSLIB00006116011 | Gold | 1 |
| CCMSLIB00006116014 | Gold | 1 |
| CCMSLIB00006116016 | Gold | 1 |
| CCMSLIB00000573818 | Bronze | MoNA:2231022&Benzyl&succinic&acid |
| CCMSLIB00000573828 | Bronze | MoNA:2232430&Benzyl&succinic&acid |
| CCMSLIB00000573830 | Bronze | MoNA:2231272&Benzyl&succinic&acid |
| CCMSLIB00000573933 | Bronze | MoNA:2240892&Benzyl&succinic&acid |
| CCMSLIB00000574016 | Bronze | MoNA:2231301&Benzyl&succinic&acid |
| CCMSLIB00000574405 | Bronze | MoNA:2240892&(R)-2-Benzylsuccinate |
| CCMSLIB00000425243 | Bronze | HMDB:HMDB12127-2507&(R)-2-Benzylsuccinate |
| CCMSLIB00000425667 | Bronze | HMDB:HMDB12127-2506&(R)-2-Benzylsuccinate |
| CCMSLIB00000426065 | Bronze | HMDB:HMDB12127-2505&(R)-2-Benzylsuccinate |
| CCMSLIB00005728174 | Gold | 3 |
| CCMSLIB00005728181 | Gold | 3 |
| CCMSLIB00005729564 | Gold | 3 |
| CCMSLIB00005728046 | Gold | 3 |
| CCMSLIB00005729344 | Gold | 3 |
COMPOUND NPA001012
PROPERTIES
| NPAID | NPA001012 |
|---|---|
| CLUSTER ID | 704 |
| NODE ID | 617 |
| NAME | Benzylsuccinic acid |
| FORMULA | C11H12O4 |
| MOLECULAR WEIGHT (Da) | 208.2130 |
| ACCURATE MASS (Da) | 208.0736 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Azoarcus |
| ORIGIN SPECIES | tolulyticus |
| InChIKey | GTOFKXZQQDSVFH-UHFFFAOYSA-N |
| InChI | InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15) |
| SMILES | C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Migaud, M E; Chee-Sanford, J C; Tiedje, J M; Frost, J W Benzylfumaric, benzylmaleic, and Z- and E-phenylitaconic acids: synthesis, characterization, and correlation with a metabolite generated by Azoarcus tolulyticus Tol-4 during anaerobic toluene degradation Applied and Environmental Microbiology 1996 62 (3) 974-978. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541362 | PMID | 8975624 |
