Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00005742588 | Gold | 3 |
COMPOUND NPA006707
PROPERTIES
NPAID | NPA006707 |
---|---|
CLUSTER ID | 3080 |
NODE ID | 2351 |
NAME | (E)4-Oxonon-2-enoic acid |
FORMULA | C9H14O3 |
MOLECULAR WEIGHT (Da) | 170.2080 |
ACCURATE MASS (Da) | 170.0943 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | olivaceus |
InChIKey | QHYBPAALYZNWPK-VOTSOKGWSA-N |
InChI | InChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h6-7H,2-5H2,1H3,(H,11,12)/b7-6+ |
SMILES | CCCCCC(=O)/C=C/C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | PFEFFERLE, CHRISTOPH; KEMPTER, CHRISTOPH; METZGER, JÖRG W.; FIEDLER, HANS-PETER (E)-4-Oxonon-2-enoic Acid, an Antibiotically Active Fatty Acid Produced by Streptomyces olivaceus Tue 4018 Journal of Antibiotics 1996 49 (8) 826-828. | ||
---|---|---|---|
DOI | 10.7164/antibiotics.49.826 | PMID | 8823520 |