Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004751350 | Gold | 3 |
| CCMSLIB00005719034 | Gold | 3 |
| CCMSLIB00005719998 | Gold | 3 |
| CCMSLIB00005719999 | Gold | 3 |
| CCMSLIB00005720000 | Gold | 3 |
| CCMSLIB00005719657 | Gold | 3 |
| CCMSLIB00005719658 | Gold | 3 |
| CCMSLIB00005719659 | Gold | 3 |
| CCMSLIB00005719660 | Gold | 3 |
| CCMSLIB00012125903 | Gold | 4 |
| CCMSLIB00009965700 | Gold | 4 |
COMPOUND NPA001997
PROPERTIES
| NPAID | NPA001997 |
|---|---|
| CLUSTER ID | 1246 |
| NODE ID | 1055 |
| NAME | Protoconstipatic acid |
| FORMULA | C21H36O5 |
| MOLECULAR WEIGHT (Da) | 368.5140 |
| ACCURATE MASS (Da) | 368.2563 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | UYUDMGMNHAKPEV-YTQUADARSA-N |
| InChI | InChI=1S/C21H36O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h16,18-19,22H,2-15H2,1H3,(H,23,24)/t16-,18-,19+/m0/s1 |
| SMILES | C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rezanka, T; Guschina, I A Glycosidic compounds of murolic, protoconstipatic and allo-murolic acids from lichens of Central Asia Phytochemistry 2000 54 (6) 635-645. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(00)00147-3 | PMID | 10963458 |
