Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006296
PROPERTIES
| NPAID | NPA006296 |
|---|---|
| CLUSTER ID | 2115 |
| NODE ID | 1696 |
| NAME | Chlorocatechelin A |
| FORMULA | C26H30Cl2N6O11 |
| MOLECULAR WEIGHT (Da) | 673.4630 |
| ACCURATE MASS (Da) | 672.1350 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | RNSXINHQKGRUDO-IAGOWNOFSA-N |
| InChI | InChI=1S/C26H30Cl2N6O11/c27-14-7-5-12(18(36)20(14)38)22(40)31-16(24(42)32-17(25(43)44)4-2-10-34(45)11-35)3-1-9-30-26(29)33-23(41)13-6-8-15(28)21(39)19(13)37/h5-8,11,16-17,36-39,45H,1-4,9-10H2,(H,31,40)(H,32,42)(H,43,44)(H3,29,30,33,41)/t16-,17-/m1/s1 |
| SMILES | C1=CC(=C(C(=C1C(=O)N[C@H](CCCN=C(N)NC(=O)C2=C(C(=C(C=C2)Cl)O)O)C(=O)N[C@H](CCCN(C=O)O)C(=O)O)O)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kishimoto, Shinji; Nishimura, Shinichi; Hattori, Akira; Tsujimoto, Masafumi; Hatano, Masaki; Igarashi, Masayuki; Kakeya, Hideaki Chlorocatechelins A and B from streptomyces sp.: New siderophores containing chlorinated catecholate groups and an acylguanidine structure Organic Letters 2014 16 (23) 6108-6111. | ||
|---|---|---|---|
| DOI | 10.1021/ol502964s | PMID | 25408968 |
