Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011460
PROPERTIES
| NPAID | NPA011460 |
|---|---|
| CLUSTER ID | 1363 |
| NODE ID | 1146 |
| NAME | Antibiotic NeoC-1027 chromophore I |
| FORMULA | C43H46ClN3O13 |
| MOLECULAR WEIGHT (Da) | 848.3020 |
| ACCURATE MASS (Da) | 847.2719 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | globisporus C-1027 |
| InChIKey | YXTUNLGGWZOWLU-WDLYIYFNSA-N |
| InChI | InChI=1S/C43H46ClN3O13/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/h7-16,19,28,31,34-35,37-38,41,48,50-51H,17-18,45H2,1-6H3,(H,46,52)/t19?,28?,31?,34-,35+,37-,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)OC5C6=C(C=C3C=C6)C7=CC=CC57O[C@H]8[C@@H]([C@@H]([C@@H](C(O8)(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 |
