Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008929
PROPERTIES
| NPAID | NPA008929 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Chloro-orienticin B |
| FORMULA | C66H75Cl2N9O24 |
| MOLECULAR WEIGHT (Da) | 1449.2710 |
| ACCURATE MASS (Da) | 1447.4302 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis PA-45052 |
| InChIKey | ATHQCOUEZPBNLP-GJIYAGCMSA-N |
| InChI | InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24?,34-,35+,42?,44?,46?,47-,48+,49-,50?,51-,52?,53?,54?,55-,57?,65?,66?/m1/s1 |
| SMILES | CC1C(C(CC(O1)O[C@H]2C3C(=O)N[C@@H](C4=CC(=CC(=C4C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)OC9C(C(C(C(O9)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)O)O)C(=O)O)(C)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | TSUJI, NAOKI; KAMIGAUCHI, TOSHIYUKI; KOBAYASHI, MASAAKI; TERUI, YOSHIHIRO New glycopeptide antibiotics: II. The isolation and structures of chloroorienticins Journal of Antibiotics 1988 41 (10) 1506-1510. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.1506 | PMID | 3272137 |
