Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021180
PROPERTIES
| NPAID | NPA021180 |
|---|---|
| CLUSTER ID | 5591 |
| NODE ID | 3958 |
| NAME | N-demethyl-7-O-demethylcelesticetin |
| FORMULA | C22H32N2O9S |
| MOLECULAR WEIGHT (Da) | 500.5700 |
| ACCURATE MASS (Da) | 500.1829 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | caelestis strain 22218a |
| InChIKey | GEJPGRHNEXXHBZ-PWOXNDPSSA-N |
| InChI | InChI=1S/C22H32N2O9S/c1-11(25)15(24-20(30)13-6-4-8-23-13)19-17(28)16(27)18(29)22(33-19)34-10-9-32-21(31)12-5-2-3-7-14(12)26/h2-3,5,7,11,13,15-19,22-23,25-29H,4,6,8-10H2,1H3,(H,24,30)/t11-,13+,15-,16-,17+,18+,19+,22+/m0/s1 |
| SMILES | C[C@@H]([C@@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SCCOC(=O)C2=CC=CC=C2O)O)O)O)NC(=O)[C@H]3CCCN3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Argoudelis AD; Coats JH; Lemaux PG; Sebek OK Antibiotics produced by mutants of Streptomyces caelestis. II. N-demethylcelesticetin and N-demethyl-7-O-demethylcelesticetin. Journal of Antibiotics 1973 26 (1) 7-14. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.26.7 | PMID | 4781281 |
