Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020125
PROPERTIES
| NPAID | NPA020125 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | R1128 A |
| FORMULA | C17H14O5 |
| MOLECULAR WEIGHT (Da) | 298.2940 |
| ACCURATE MASS (Da) | 298.0841 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. No. 1128 |
| InChIKey | JLGHVXJQLZFPRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H14O5/c1-2-3-8-4-9(18)5-11-14(8)17(22)15-12(16(11)21)6-10(19)7-13(15)20/h4-7,18-20H,2-3H2,1H3 |
| SMILES | CCCC1=C2C(=CC(=C1)O)C(=O)C3=CC(=CC(=C3C2=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hori Y, Takase S, Shigematsu N, Goto T, Okuhara M, Kohsaka M R1128 substances, novel non-steroidal estrogen-receptor antagonists produced by a Streptomyces. II. Physico-chemical properties and structure determination Journal of Antibiotics 1993 46 (7) 1063-1068. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1063 | PMID | 8360100 |
