Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015464
PROPERTIES
| NPAID | NPA015464 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Chloro-orienticin C |
| FORMULA | C60H65Cl2N9O19 |
| MOLECULAR WEIGHT (Da) | 1287.1300 |
| ACCURATE MASS (Da) | 1285.3774 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis PA-45052 |
| InChIKey | CHSINQSLUWRGER-YGSFPILTSA-N |
| InChI | InChI=1S/C60H65Cl2N9O19/c1-22(2)12-33(65-5)53(79)70-47-49(76)25-7-10-37(31(61)14-25)88-39-16-27-17-40(50(39)77)89-38-11-8-26(15-32(38)62)51(90-42-21-60(4,64)52(78)23(3)87-42)48-58(84)69-46(59(85)86)30-18-28(72)19-36(74)43(30)29-13-24(6-9-35(29)73)44(55(81)71-48)68-56(82)45(27)67-54(80)34(20-41(63)75)66-57(47)83/h6-11,13-19,22-23,33-34,42,44-49,51-52,65,72-74,76-78H,12,20-21,64H2,1-5H3,(H2,63,75)(H,66,83)(H,67,80)(H,68,82)(H,69,84)(H,70,79)(H,71,81)(H,85,86)/t23?,33-,34+,42?,44?,45-,46+,47-,48?,49-,51-,52?,60?/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)O)OC9=C(C=C2C=C9)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 |
