Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020601
PROPERTIES
| NPAID | NPA020601 |
|---|---|
| CLUSTER ID | 6474 |
| NODE ID | 4477 |
| NAME | Quinolidomicin A1 |
| FORMULA | C83H132O23S |
| MOLECULAR WEIGHT (Da) | 1530.0130 |
| ACCURATE MASS (Da) | 1528.8880 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | sp. JY16 |
| InChIKey | ICRSVVBHIOAZHM-ORLNCPKUSA-N |
| InChI | InChI=1S/C83H132O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-96,98,100-101,103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3/b13-11-,15-12-,17-14-,25-20+,27-23-,29-16+,31-18+,33-22+,54-26+/t51-,52-,53-,55-,56+,57-,58-,59-,60-,61+,62+,63-,64+,65-,67-,68-,69-,70+,71+,74-,75+,78+,79+,81-,83+/m0/s1 |
| SMILES | C[C@H]1CCCC[C@@H](C[C@@H](C[C@@H](OC(=O)C[C@]2(C[C@@H]([C@@H]([C@H](O2)[C@H]([C@@H]([C@H](/C=C\C=C(\[C@H]([C@@H]([C@@H](C[C@H]([C@H](CC[C@@H](C[C@H](C[C@@H](/C=C/C=C\C[C@H](CC(=O)C[C@H](/C=C/C=C\C=C/C[C@@H](C[C@@H](CC1)O)O)O)O)O)O)O)C)O)O)C)O)/C)C)O)C)C)O)O)/C=C/C=C/[C@H](C)CC[C@H](C3=C(C(=O)C=C(C3=O)O)SC)OC)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hayakawa Y; Matsuoka M; Shin-ya K; Seto H Quinolidomicins A1, A2 and B1, novel 60-membered macrolide antibiotics. II. Structure elucidation. Journal of Antibiotics 1993 46 (10) 1563-1569. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1563 | PMID | 8244884 |
