Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003212
PROPERTIES
| NPAID | NPA003212 |
|---|---|
| CLUSTER ID | 1363 |
| NODE ID | 1146 |
| NAME | C-1027 chromophore II |
| 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 | DSJNFFDHWUEBQM-KDUGLPQFSA-N |
| InChI | InChI=1S/C43H44ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,21,28,31-32,35-36,38,41,48,50-51H,19-20,45H2,1-6H3,(H,46,52)/t21?,28?,31?,32?,35?,36?,38-,41-,43?/m0/s1 |
| SMILES | CC1C(=O)NC2=C(O1)C=C(C=C2C(=O)OC3COC(=O)CC(C4=CC(=C(C(=C4)Cl)OC5C#CC=C3C#CC6=CC=CC56O[C@H]7C(C([C@@H](C(O7)(C)C)N(C)C)O)O)O)N)OC |
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 |
