Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009732
PROPERTIES
| NPAID | NPA009732 |
|---|---|
| CLUSTER ID | 2365 |
| NODE ID | 1863 |
| NAME | Cladoacetal A |
| FORMULA | C12H12O3 |
| MOLECULAR WEIGHT (Da) | 204.2250 |
| ACCURATE MASS (Da) | 204.0786 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladosporium |
| ORIGIN SPECIES | sp NRRL 29097 |
| InChIKey | MQNPAODYALMZAI-KOLSJAJHSA-N |
| InChI | InChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10+,12-/m0/s1 |
| SMILES | C[C@@H]1O[C@H]2O[C@@H]1C=CC1=C2C(O)=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Höller, Ulrich; Gloer, James B; Wicklow, Donald T Biologically active polyketide metabolites from an undetermined fungicolous hyphomycete resembling Cladosporium. Journal of Natural Products 2002 65 (6) 876-882. | ||
|---|---|---|---|
| DOI | 10.1021/np020097y | PMID | 12088431 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1[C@@H]2C=CC3=C([C@H](O1)O2)C(=CC=C3)O | Höller, Ulrich; Gloer, James B; Wicklow, Donald T Biologically active polyketide metabolites from an undetermined fungicolous hyphomycete resembling Cladosporium. Journal of Natural Products 2002 65 (6) 876-882. DOI: 10.1021/np020097y PMID: 12088431 | ||
| 2 | C[C@@H]1O[C@H]2O[C@@H]1C=CC1=C2C(O)=CC=C1 | Hsu, Day-Shin; Lin, Shih-Chung Total syntheses of cladoacetals A and B: confirmation of absolute configurations. Journal of Organic Chemistry 2012 77 (14) 6139-46. DOI: 10.1021/jo300923e PMID: 22734963 | ||
