Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004751267 | Gold | 3 |
| CCMSLIB00005718930 | Gold | 3 |
| CCMSLIB00005719481 | Gold | 3 |
| CCMSLIB00005719482 | Gold | 3 |
| CCMSLIB00005719483 | Gold | 3 |
| CCMSLIB00012106599 | Gold | 4 |
| CCMSLIB00009946396 | Gold | 4 |
COMPOUND NPA010510
PROPERTIES
| NPAID | NPA010510 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Divaricatic acid |
| FORMULA | C21H24O7 |
| MOLECULAR WEIGHT (Da) | 388.4160 |
| ACCURATE MASS (Da) | 388.1522 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | FSRDIJIAQPSMMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H24O7/c1-4-6-12-9-15(11-16(22)18(12)20(24)25)28-21(26)19-13(7-5-2)8-14(27-3)10-17(19)23/h8-11,22-23H,4-7H2,1-3H3,(H,24,25) |
| SMILES | CCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CCC)C(=O)O)O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oxford, A e; Raistrick, H Studies in the biochemistry of micro-organisms Biochemical Journal 1933 27 (3) 634-653. | ||
|---|---|---|---|
| DOI | 10.1042/bj0270634 | PMID | 16745140 |
