Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010866
PROPERTIES
| NPAID | NPA010866 |
|---|---|
| CLUSTER ID | 1363 |
| NODE ID | 1146 |
| NAME | C-1027 chromophore III |
| FORMULA | C43H44ClN3O13 |
| MOLECULAR WEIGHT (Da) | 846.2860 |
| ACCURATE MASS (Da) | 845.2563 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | globisporus C-1027 |
| InChIKey | SAWXMTQYIIZWNU-HUOJNRNKSA-N |
| InChI | InChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/t28-,31-,34+,35?,37-,38+,41-,43+/m0/s1 |
| SMILES | CC1([C@H]([C@@H](C([C@@H](O1)O[C@]23C=CC=C2C4=C5[C@H]3OC6=C(C=C(C=C6Cl)[C@H](CC(=O)OC[C@@H](C(=C4)C=C5)OC(=O)C7=CC(=CC8=C7NC(=O)C(=C)O8)OC)N)O)O)O)N(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Otani, T; Yoshida, K; Sasaki, T; Minami, Y C-1027 enediyne chromophore: presence of another active form and its chemical structure Journal of Antibiotics 1999 52 (4) 415-421. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.415 | PMID | 10395278 |
