Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000080438 | Gold | 1 |
COMPOUND NPA024723
PROPERTIES
| NPAID | NPA024723 |
|---|---|
| CLUSTER ID | 84 |
| NODE ID | 79 |
| NAME | Clorobiocin |
| FORMULA | C35H37ClN2O11 |
| MOLECULAR WEIGHT (Da) | 697.1370 |
| ACCURATE MASS (Da) | 696.2086 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | FJAQNRBDVKIIKK-LFLQOBSNSA-N |
| InChI | InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1 |
| SMILES | CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | NINET L, BENAZET F, CHARPENTIE Y, DUBOST M, FLORENT J, MANCY D, PREUD'HOMME JE, THRELFALL TL, VUILLEMIN B, WRIGHT DE, ABRAHAM A. CLOROBIOCIN, EIN NEUES, AUS EINER REIHE VON STREPTOMYCES‐STAEMMEN GEWONNENES CHLORHALTIGES ANTIBIOTICUM. Chemischer Informationsdienst. 1972 3 (49) None. | ||
|---|---|---|---|
| DOI | 10.1002/chin.197249433 | PMID | - |
