Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009745
PROPERTIES
| NPAID | NPA009745 |
|---|---|
| CLUSTER ID | 200 |
| NODE ID | 187 |
| NAME | AI-77-B |
| FORMULA | C20H28N2O8 |
| MOLECULAR WEIGHT (Da) | 424.4500 |
| ACCURATE MASS (Da) | 424.1846 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | pumilus |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| SMILES | CC(C)C[C@@H]([C@@H]1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)[C@H]([C@H]([C@H](CC(=O)O)N)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shimojima, Yukiji; Hayashi, Hiroshi; Ooka, Tadaaki; Shibukawa, Mitsuru; Iitaka, Yoichi (STUDIES ON AI-77s, MICROBIAL PRODUCTS WITH PHARMACOLOGICAL ACTIVITY) STRUCTURES AND THE CHEMICAL NATURE OF AI-77s Tetrahedron Letters 1982 23 (51) 5435-5438. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4039(82)80150-0 | PMID | - |
SYNTHESES
| CITATION 1 | Ghosh AK; Bischoff A; Cappiello J Asymmetric Total Synthesis of the Gastroprotective Microbial Agent AI-77-B. European Journal of Organic Chemistry 2003 2003 (5) 821-832. DOI: 10.1002/ejoc.200390125 PMID: 30393460 | ||
|---|---|---|---|
