Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001255
PROPERTIES
| NPAID | NPA001255 |
|---|---|
| CLUSTER ID | 837 |
| NODE ID | 726 |
| NAME | Phomalactone deriv. III |
| FORMULA | C22H30O7 |
| MOLECULAR WEIGHT (Da) | 406.4750 |
| ACCURATE MASS (Da) | 406.1992 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | JDUDUAQYAOKPNE-LGFSKDTGSA-N |
| InChI | InChI=1S/C22H30O7/c1-15(6-4-5-7-17(3)23)14-16(2)8-12-21(26)29-19-10-13-22(27)28-18(19)9-11-20(24)25/h8-15,17-19,23H,4-7H2,1-3H3,(H,24,25)/b11-9+,12-8+,16-14+/t15?,17?,18-,19-/m0/s1 |
| SMILES | CC(CCCCC(C)O)/C=C(\C)/C=C/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | WRIGLEY, STEPHEN K.; SADEGHI, ROYA; BAHL, SANGEETA; WHITING, ANDREW J.; AINSWORTH, A. MARTYN; MARTIN, STEVEN M.; KATZER, WERNER; FORD, ROBERT; KAU, DAVID A.; ROBINSON, NEIL; HAYES, MARTIN A.; ELCOCK, CLAIRE; MANDER, THOMAS; MOORES, MICHAEL A novel (6S)-4,6-dimethyldodeca-2E,4E-dienoyl ester of phomalactone and related alpha-pyrone esters from a Phomopsis sp. with cytokine production inhibitory activity Journal of Antibiotics 1999 52 (10) 862-872. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.862 | PMID | 10604755 |
