Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008648
PROPERTIES
| NPAID | NPA008648 |
|---|---|
| CLUSTER ID | 1349 |
| NODE ID | 433 |
| NAME | Berkeleyacetal B |
| FORMULA | C26H30O9 |
| MOLECULAR WEIGHT (Da) | 486.5170 |
| ACCURATE MASS (Da) | 486.1890 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | XZKVBCSVEVIEBX-YJCISAIBSA-N |
| InChI | InChI=1S/C26H30O9/c1-12-18(28)26(21(30)31-6)17-19(33-12)34-20(29)23(17,4)10-15-24(26,5)8-7-13-14(25(15)11-32-25)9-16(27)35-22(13,2)3/h7,9,12,15,17,19H,8,10-11H2,1-6H3/t12-,15+,17+,19+,23+,24-,25-,26-/m0/s1 |
| SMILES | C[C@H]1C(=O)[C@@]2([C@@H]3[C@H](O1)OC(=O)[C@@]3(C[C@@H]4[C@@]2(CC=C5C(=CC(=O)OC5(C)C)[C@@]46CO6)C)C)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Donald B.; Stierle, Andrea A.; Patacini, Brianna The Berkeleyacetals, Three Meroterpenes from a Deep Water Acid Mine Waste Penicillium Journal of Natural Products 2007 70 (11) 1820-1823. | ||
|---|---|---|---|
| DOI | 10.1021/np070329z | PMID | 17970594 |
