Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012677
PROPERTIES
| NPAID | NPA012677 |
|---|---|
| CLUSTER ID | 4730 |
| NODE ID | 2411 |
| NAME | Isoflavipucine |
| FORMULA | C12H15NO4 |
| MOLECULAR WEIGHT (Da) | 237.2550 |
| ACCURATE MASS (Da) | 237.1001 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavipes |
| InChIKey | VALUPXXLHSBISM-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H15NO4/c1-6(2)4-8(14)12-16-9-5-7(3)13-11(15)10(9)17-12/h5-6,12H,4H2,1-3H3,(H,13,15) |
| SMILES | CC1=CC2=C(C(=O)N1)OC(O2)C(=O)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Findlay, John A; Krepinsky, Jiri; Shum, Anita; Casinovi, CG; Radics, L The structure of isoflavipucine Canadian Journal of Chemistry 1977 55 (4) 600-603. | ||
|---|---|---|---|
| DOI | 10.1139/v77-085 | PMID | - |
SYNTHESES
| CITATION 1 | Mizutani S; Komori K; Taniguchi T; Monde K; Kuramochi K; Tsubaki K A Bioinspired Synthesis of (±)-Rubrobramide, (±)-Flavipucine, and (±)-Isoflavipucine. Angewandte Chemie International Edition 2016 55 (33) 9553-6. DOI: 10.1002/anie.201602910 PMID: 27376480 | ||
|---|---|---|---|
