Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014591
PROPERTIES
| NPAID | NPA014591 |
|---|---|
| CLUSTER ID | 5185 |
| NODE ID | 3712 |
| NAME | Penicacid B |
| FORMULA | C23H30O12 |
| MOLECULAR WEIGHT (Da) | 498.4810 |
| ACCURATE MASS (Da) | 498.1737 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. SOF07 |
| InChIKey | WYXRFIJAMXLLNA-PAXYZUOBSA-N |
| InChI | InChI=1S/C23H30O12/c1-9(4-5-11-17(27)16-12(8-33-22(16)31)10(2)21(11)32-3)13(6-15(25)26)34-23-20(30)19(29)18(28)14(7-24)35-23/h4,13-14,18-20,23-24,27-30H,5-8H2,1-3H3,(H,25,26)/t13-,14+,18+,19-,20+,23-/m0/s1 |
| SMILES | CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)[C@H](CC(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Ziming; Zheng, Zhihui; Huang, Hongbo; Song, Yongxiang; Zhang, Xuelian; Ma, Junying; Wang, Bo; Zhang, Changsheng; Ju, Jianhua Penicacids A-C, three new mycophenolic acid derivatives and immunosuppressive activities from the marine-derived fungus Penicillium sp. SOF07 Bioorganic and Medicinal Chemistry Letters 2012 22 (9) 3332-3335. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2012.02.106 | PMID | 22464133 |
