Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010132
PROPERTIES
| NPAID | NPA010132 |
|---|---|
| CLUSTER ID | 2319 |
| NODE ID | 1833 |
| NAME | Hydroisoflavone B |
| FORMULA | C15H16O7 |
| MOLECULAR WEIGHT (Da) | 308.2860 |
| ACCURATE MASS (Da) | 308.0896 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | mirabilis |
| InChIKey | LYKJAYDNDPZVTH-OSQNNJELSA-N |
| InChI | InChI=1S/C15H16O7/c16-7-3-10(18)13-12(4-7)22-6-8(14(13)20)15(21)2-1-9(17)11(19)5-15/h3-4,6,9,11,16-19,21H,1-2,5H2/t9-,11-,15+/m1/s1 |
| SMILES | C1C[C@](C[C@H]([C@@H]1O)O)(C2=COC3=CC(=CC(=C3C2=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ndejouong, B Le S Tchize; Sattler, I; Dahse, H-M; Kothe, E; Hertweck, C Isoflavones with unusually modified B-rings and their evaluation as antiproliferative agents Bioorganic and Medicinal Chemistry Letters 2009 19 (22) 6473-6476. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2009.08.084 | PMID | 19818612 |
