Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008986
PROPERTIES
NPAID | NPA008986 |
---|---|
CLUSTER ID | 16 |
NODE ID | 16 |
NAME | Macrolactin E |
FORMULA | C24H32O5 |
MOLECULAR WEIGHT (Da) | 400.5150 |
ACCURATE MASS (Da) | 400.2250 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Unknown-fungus |
ORIGIN SPECIES | sp. |
InChIKey | SFYNFGJVYUKJLQ-OREVBMFVSA-N |
InChI | InChI=1S/C24H32O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-21,23,25,27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21-,23+/m1/s1 |
SMILES | C[C@@H]1CCC/C=C/C=C/C(=O)C[C@H](C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O1)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Gustafson, K; Roman, M; Fenical, William The macrolactins, a novel class of antiviral and cytotoxic macrolides from a deep-sea marine bacterium Journal of the American Chemical Society 1989 111 (19) 7519-7524. | ||
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DOI | 10.1021/ja00201a036 | PMID | - |