Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007669
PROPERTIES
| NPAID | NPA007669 |
|---|---|
| CLUSTER ID | 1079 |
| NODE ID | 928 |
| NAME | Sapinofuranone A |
| FORMULA | C10H14O3 |
| MOLECULAR WEIGHT (Da) | 182.2190 |
| ACCURATE MASS (Da) | 182.0943 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sphaeropsis |
| ORIGIN SPECIES | sapinea |
| InChIKey | TUUOKFDGTUYGAJ-JEJROOAUSA-N |
| InChI | InChI=1S/C10H14O3/c1-2-3-4-5-8(11)9-6-7-10(12)13-9/h2-5,8-9,11H,6-7H2,1H3/b3-2+,5-4-/t8-,9+/m0/s1 |
| SMILES | C/C=C/C=C\[C@H](O)[C@H]1CCC(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Evidente, Antonio; Sparapano, Lorenzo; Fierro, Olga; Bruno, Giovanni; Motta, Andrea Sapinofuranones A and B, two new 2(3H)-dihydrofuranones produced by Sphaeropsis sapinea, a common pathogen of conifers Journal of Natural Products 1999 62 (2) 253-256. | ||
|---|---|---|---|
| DOI | 10.1021/np980318t | PMID | 10075753 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C=C/C=C\[C@@H](C1CCC(=O)O1)O | Evidente, Antonio; Sparapano, Lorenzo; Fierro, Olga; Bruno, Giovanni; Motta, Andrea Sapinofuranones A and B, two new 2(3H)-dihydrofuranones produced by Sphaeropsis sapinea, a common pathogen of conifers Journal of Natural Products 1999 62 (2) 253-256. DOI: 10.1021/np980318t PMID: 10075753 | ||
| 2 | C/C=C/C=C\[C@H](O)[C@H]1CCC(=O)O1 | Cimino, Paola; Bifulco, Giuseppe; Evidente, Antonio; Abouzeid, Mohamed; Riccio, Raffaele; Gomez-Paloma, Luigi Extension of the J-based configuration analysis to multiple conformer equilibria: an application to sapinofuranone A. Organic Letters 2002 4 (16) 2779-82. DOI: 10.1021/ol026310z PMID: 12153233 | ||
