Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004686901 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004686902 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004686903 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004686904 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701000 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701001 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701002 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701003 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701004 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701005 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701006 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701007 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701008 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701009 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701010 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701011 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701012 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701013 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00004701014 | Bronze | 2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic&acid |
| CCMSLIB00000847595 | Gold | 1!CCMSLIB00000847596 |
| CCMSLIB00005721864 | Gold | 3 |
| CCMSLIB00012129883 | Gold | 4 |
| CCMSLIB00012129886 | Gold | 4 |
| CCMSLIB00012129885 | Gold | 4 |
| CCMSLIB00012129884 | Gold | 4 |
| CCMSLIB00009969680 | Gold | 4 |
| CCMSLIB00009969683 | Gold | 4 |
| CCMSLIB00009969682 | Gold | 4 |
| CCMSLIB00009969681 | Gold | 4 |
COMPOUND NPA005456
PROPERTIES
| NPAID | NPA005456 |
|---|---|
| CLUSTER ID | 1818 |
| NODE ID | 1472 |
| NAME | Homononactyl homononactate |
| FORMULA | C22H38O7 |
| MOLECULAR WEIGHT (Da) | 414.5390 |
| ACCURATE MASS (Da) | 414.2618 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | pumilus |
| InChIKey | WGVQPPKZKAJDGR-NPCDJYPASA-N |
| InChI | InChI=1S/C22H38O7/c1-5-15(23)11-17-7-10-20(27-17)14(4)22(26)29-16(6-2)12-18-8-9-19(28-18)13(3)21(24)25/h13-20,23H,5-12H2,1-4H3,(H,24,25)/t13-,14+,15-,16+,17-,18+,19-,20+/m1/s1 |
| SMILES | CC[C@H](C[C@H]1CC[C@H](O1)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Han, Li; Huo, Peiyuan; Chen, Huahong; Li, Songtao; Jiang, Yi; Li, Liya; Xu, Lihua; Jiang, Chenglin; Huang, Xueshi New derivatives of nonactic and homononactic acids from Bacillus pumilus derived from Breynia fruticosa Chemistry and Biodiversity 2014 11 (7) 1088-1098. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201300350 | PMID | 25044594 |
