Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011763
PROPERTIES
| NPAID | NPA011763 |
|---|---|
| CLUSTER ID | 4504 |
| NODE ID | 3295 |
| NAME | Multiplolide A |
| FORMULA | C10H14O5 |
| MOLECULAR WEIGHT (Da) | 214.2170 |
| ACCURATE MASS (Da) | 214.0841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | multiplex (BCC 1111) |
| InChIKey | GSXXKILAEILYRX-JRSSMJHLSA-N |
| InChI | InChI=1S/C10H14O5/c1-5-4-7(12)6(11)2-3-8-9(15-8)10(13)14-5/h2-3,5-9,11-12H,4H2,1H3/b3-2+/t5-,6+,7-,8+,9+/m1/s1 |
| SMILES | C[C@@H]1C[C@@H](O)[C@@H](O)/C=C/[C@@H]2O[C@@H]2C(=O)O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Boonphong; Kittakoop; Isaka; Pittayakhajonwut; Tanticharoen; Thebtaranonth Multiplolides A and B, new antifungal 10-membered lactones from Xylaria multiplex Journal of Natural Products 2001 64 (7) 965-967. | ||
|---|---|---|---|
| DOI | 10.1021/np000291p | PMID | 11473437 |
SYNTHESES
| CITATION 1 | Ramana CV; Khaladkar TP; Chatterjee S; Gurjar MK Total synthesis and determination of relative and absolute configuration of multiplolide A. Journal of Organic Chemistry 2008 73 (10) 3817-3822. DOI: 10.1021/jo7027568 PMID: 18410146 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1C[C@H]([C@H](/C=C/C2C(O2)C(=O)O1)O)O | Boonphong; Kittakoop; Isaka; Pittayakhajonwut; Tanticharoen; Thebtaranonth Multiplolides A and B, new antifungal 10-membered lactones from Xylaria multiplex Journal of Natural Products 2001 64 (7) 965-967. DOI: 10.1021/np000291p PMID: 11473437 | ||
| 2 | C[C@@H]1C[C@@H](O)[C@@H](O)/C=C/[C@@H]2O[C@@H]2C(=O)O1 | Ramana CV; Khaladkar TP; Chatterjee S; Gurjar MK Total synthesis and determination of relative and absolute configuration of multiplolide A. Journal of Organic Chemistry 2008 73 (10) 3817-3822. DOI: 10.1021/jo7027568 PMID: 18410146 | ||
