Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00012109722 | Gold | 4 |
CCMSLIB00012109723 | Gold | 4 |
CCMSLIB00012109720 | Gold | 4 |
CCMSLIB00012109721 | Gold | 4 |
CCMSLIB00009949519 | Gold | 4 |
CCMSLIB00009949520 | Gold | 4 |
CCMSLIB00009949517 | Gold | 4 |
CCMSLIB00009949518 | Gold | 4 |
COMPOUND NPA032750
PROPERTIES
NPAID | NPA032750 |
---|---|
CLUSTER ID | 7962 |
NODE ID | 5413 |
NAME | 1233A |
FORMULA | C18H28O5 |
MOLECULAR WEIGHT (Da) | 324.4170 |
ACCURATE MASS (Da) | 324.1937 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Unknown-fungus |
ORIGIN SPECIES | sp. |
InChIKey | ODCZJZWSXPVLAW-UHFFFAOYSA-N |
InChI | InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21) |
SMILES | CC(=CC(=O)O)C=C(C)CC(C)CCCCC1OC(=O)C1CO |
ORIGINAL ISOLATION REFERENCE
CITATION | Aldridge, D. C.; Giles, D.; Turner, W. B. Antibiotic 1233A: a fungal beta-lactone. Journal of the Chemical Society C: Organic 1971 23 (None) 3888-3891. | ||
---|---|---|---|
DOI | 10.1039/J39710003888 | PMID | 5169001 |