Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011282
PROPERTIES
| NPAID | NPA011282 |
|---|---|
| CLUSTER ID | 2356 |
| NODE ID | 1860 |
| NAME | Phenguignardic acid |
| FORMULA | C18H14O5 |
| MOLECULAR WEIGHT (Da) | 310.3050 |
| ACCURATE MASS (Da) | 310.0841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Guignardia |
| ORIGIN SPECIES | bidwellii |
| InChIKey | OLOMGTHWMBYIQH-RXBGNRNISA-N |
| InChI | InChI=1S/C18H14O5/c19-16-15(11-13-7-3-1-4-8-13)22-18(23-16,17(20)21)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)/b15-11-/t18-/m0/s1 |
| SMILES | O=C1O[C@@](CC2=CC=CC=C2)(C(=O)O)O/C1=C\C1=CC=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Molitor, Daniel; Liermann, Johannes C.; Berkelmann-Loehnertz, Beate; Buckel, Iris; Opatz, Till; Thines, Eckhard Phenguignardic acid and guignardic acid, phytotoxic secondary metabolites from Guignardia bidwellii Journal of Natural Products 2012 75 (7) 1265-1269. | ||
|---|---|---|---|
| DOI | 10.1021/np2008945 | PMID | 22779915 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1=CC=C(C=C1)CC2(OC(=CC3=CC=CC=C3)C(=O)O2)C(=O)O | Molitor, Daniel; Liermann, Johannes C.; Berkelmann-Loehnertz, Beate; Buckel, Iris; Opatz, Till; Thines, Eckhard Phenguignardic acid and guignardic acid, phytotoxic secondary metabolites from Guignardia bidwellii Journal of Natural Products 2012 75 (7) 1265-1269. DOI: 10.1021/np2008945 PMID: 22779915 | ||
| 2 | O=C1O[C@@](CC2=CC=CC=C2)(C(=O)O)O/C1=C\C1=CC=CC=C1 | Stoye, Alexander; Kowalczyk, Danuta; Opatz, Till Total Synthesis of (+)‐Phenguignardic Acid, a Phytotoxic Metabolite of <i>Guignardia bidwellii</i>. European Journal of Organic Chemistry 2013 2013 (26) 5952-5960. DOI: 10.1002/ejoc.201300531 | ||
