Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027160
PROPERTIES
| NPAID | NPA027160 |
|---|---|
| CLUSTER ID | 1788 |
| NODE ID | 1182 |
| NAME | Keratinicyclin A |
| FORMULA | C76H82ClN7O33 |
| MOLECULAR WEIGHT (Da) | 1656.9610 |
| ACCURATE MASS (Da) | 1655.4642 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | keratiniphila NRRL B24117 |
| InChIKey | PQAHJVSDLKKUPG-ZEAWWCTDSA-N |
| InChI | InChI=1S/C76H82ClN7O33/c1-26-61(106-2)37(78)23-46(107-26)113-63-30-11-15-40(36(77)18-30)109-43-20-31-19-42(64(43)114-75-65(57(93)54(90)45(25-86)112-75)115-74-60(96)56(92)58(94)72(104)117-74)108-33-12-8-28(9-13-33)62-52(84-76(105)116-62)69(100)79-38(16-27-6-4-3-5-7-27)66(97)80-49(31)68(99)81-48-29-10-14-39(88)34(17-29)47-35(50(71(102)103)82-70(101)51(63)83-67(48)98)21-32(87)22-41(47)110-73-59(95)55(91)53(89)44(24-85)111-73/h3-15,17-22,26,37-38,44-46,48-63,65,72-75,85-96,104H,16,23-25,78H2,1-2H3,(H,79,100)(H,80,97)(H,81,99)(H,82,101)(H,83,98)(H,84,105)(H,102,103)/t26-,37-,38-,44+,45+,46-,48+,49+,50-,51-,52+,53+,54+,55-,56+,57-,58+,59-,60+,61-,62+,63+,65+,72+,73-,74+,75-/m0/s1 |
| SMILES | CO[C@@H]1[C@@H](N)C[C@H](O[C@@H]2C3=CC(Cl)=C(C=C3)OC3=CC4=CC(=C3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)OC3=CC=C(C=C3)[C@H]3OC(=O)N[C@H]3C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)O)C2=C(C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)=CC(O)=C2)C2=C(O)C=CC3=C2)O[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Fei; Wu, Yihan; Zhang, Chen; Davis, Katherine M.; Moon, Kyuho; Bushin, Leah B.; Seyedsayamdost, Mohammad R. A genetics-free method for high-throughput discovery of cryptic microbial metabolites Nature Chemical Biology 2019 15 (2) 161-168. | ||
|---|---|---|---|
| DOI | 10.1038/s41589-018-0193-2 | PMID | 30617293 |
