Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026727
PROPERTIES
| NPAID | NPA026727 |
|---|---|
| CLUSTER ID | 216 |
| NODE ID | 203 |
| NAME | 30-hydroxyrifamycin W hemiacetal |
| FORMULA | C35H43NO12 |
| MOLECULAR WEIGHT (Da) | 669.7240 |
| ACCURATE MASS (Da) | 669.2785 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | mediterranei S699 |
| InChIKey | NZERIUXDYBBUIR-XPIOALIXSA-N |
| InChI | InChI=1S/C35H43NO12/c1-13-8-7-9-19(12-37)34(46)36-21-11-22(38)23-24(30(43)16(4)31(44)25(23)32(21)45)27(40)14(2)10-20-29(42)18(6)33(48-35(20)47)17(5)28(41)15(3)26(13)39/h7-11,13,15,17-18,20,26,28-29,33,35,37,39,41-44,47H,12H2,1-6H3,(H,36,46)/b8-7+,14-10+,19-9-/t13-,15+,17+,18+,20?,26-,28+,29+,33-,35?/m0/s1 |
| SMILES | C/C1=C\C2C(O)O[C@H]([C@H](C)[C@H]2O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/CO)C(=O)NC2=CC(=O)C3=C(C1=O)C(O)=C(C)C(O)=C3C2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shi, Yanrong; Zhang, Juanli; Tian, Xiuyu; Wu, Xingkang; Li, Tianhong; Lu, Chunhua; Shen, Yuemao Isolation of 11,12-seco-Rifamycin W Derivatives Reveals a Cleavage Pattern of the Rifamycin Ansa Chain Organic Letters 2019 21 (4) 900-903. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b03792 | PMID | 30714736 |
