Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013198
PROPERTIES
| NPAID | NPA013198 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Difluostatin A |
| FORMULA | C36H22O9 |
| MOLECULAR WEIGHT (Da) | 598.5630 |
| ACCURATE MASS (Da) | 598.1264 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | rosaria SCSIO N160 |
| InChIKey | MSLRDZDDYDCKDD-BHQPUTRGSA-N |
| InChI | InChI=1S/C36H22O9/c1-12-9-15-23(19(39)10-12)27-28(22-14(31(27)41)6-4-8-18(22)38)33(43)25(15)30-24-16(34(44)36(2)35(30)45-36)11-20(40)26-21-13(32(42)29(24)26)5-3-7-17(21)37/h3-11,30,35,37-40,43H,1-2H3/t30-,35-,36+/m0/s1 |
| SMILES | CC1=CC(=C2C(=C1)C(=C(C3=C2C(=O)C4=C3C(=CC=C4)O)O)[C@H]5[C@H]6[C@](O6)(C(=O)C7=CC(=C8C9=C(C=CC=C9O)C(=O)C8=C57)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer Organic Letters 2015 17 (21) 5324-5327. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b02683 | PMID | 26465097 |
