Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007991
PROPERTIES
| NPAID | NPA007991 |
|---|---|
| CLUSTER ID | 3487 |
| NODE ID | 2232 |
| NAME | Diplobifuranylone B |
| FORMULA | C10H14O4 |
| MOLECULAR WEIGHT (Da) | 198.2180 |
| ACCURATE MASS (Da) | 198.0892 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Diplodia |
| ORIGIN SPECIES | corticola |
| InChIKey | SJSGYYGIRSKXTM-XGEHTFHBSA-N |
| InChI | InChI=1S/C10H14O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6-9,11H,4-5H2,1H3/t6-,7+,8+,9+/m1/s1 |
| SMILES | C[C@@H](O)[C@@H]1C=C[C@@H]([C@@H]2CCC(=O)O2)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Evidente, Antonio; Andolfi, Anna; Fiore, Michele; Spanu, Emanuela; Maddau, Lucia; Franceschini, Antonio; Marras, Francesco; Motta, Andrea Diplobifuranylones A and B, 5′-monosubstituted tetrahydro-2H- bifuranyl-5-ones produced by Diplodia corticola, a fungus pathogen of cork oak Journal of Natural Products 2006 69 (4) 671-674. | ||
|---|---|---|---|
| DOI | 10.1021/np050393l | PMID | 16643050 |
SYNTHESES
| CITATION 1 | Cheng X; Quintanilla CD; Zhang L Total Synthesis and Structure Revision of Diplobifuranylone B. Journal of Organic Chemistry 2019 None. DOI: 10.1021/acs.joc.9b01613 PMID: 31362500 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H](C1C=CC(O1)C2CCC(=O)O2)O | Evidente, Antonio; Andolfi, Anna; Fiore, Michele; Spanu, Emanuela; Maddau, Lucia; Franceschini, Antonio; Marras, Francesco; Motta, Andrea Diplobifuranylones A and B, 5′-monosubstituted tetrahydro-2H- bifuranyl-5-ones produced by Diplodia corticola, a fungus pathogen of cork oak Journal of Natural Products 2006 69 (4) 671-674. DOI: 10.1021/np050393l PMID: 16643050 | ||
| 2 | C[C@@H](O)[C@@H]1C=C[C@@H]([C@@H]2CCC(=O)O2)O1 | Cheng X; Quintanilla CD; Zhang L Total Synthesis and Structure Revision of Diplobifuranylone B. Journal of Organic Chemistry 2019 None. DOI: 10.1021/acs.joc.9b01613 PMID: 31362500 | ||
