Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019286
PROPERTIES
| NPAID | NPA019286 |
|---|---|
| CLUSTER ID | 6226 |
| NODE ID | 3415 |
| NAME | Maculalactone |
| FORMULA | C25H22O2 |
| MOLECULAR WEIGHT (Da) | 354.4490 |
| ACCURATE MASS (Da) | 354.1620 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kyrtuthrix |
| ORIGIN SPECIES | maculans |
| InChIKey | IQRURBLUDNZHDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C25H22O2/c26-25-23(17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)24(27-25)18-21-14-8-3-9-15-21/h1-15,24H,16-18H2 |
| SMILES | C1=CC=C(C=C1)CC2C(=C(C(=O)O2)CC3=CC=CC=C3)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsui, Wing-Yan; Williams, Gray A.; Brown, Geoffrey D. A tribenzylbutyrolactone from Kyrtuthrix maculans Phytochemistry 1996 43 (5) 1083-1085. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(96)00296-8 | PMID | - |
SYNTHESES
| CITATION 1 | Bader SL; Luescher MU; Gademann K Synthesis of maculalactone A and derivatives for environmental fate tracking studies. Organic & Biomolecular Chemistry 2015 13 (1) 199-206. DOI: 10.1039/c4ob02042a PMID: 25360848 | ||
|---|---|---|---|
