Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003174
PROPERTIES
| NPAID | NPA003174 |
|---|---|
| CLUSTER ID | 1797 |
| NODE ID | 1456 |
| NAME | Penicimarin A |
| FORMULA | C11H12O5 |
| MOLECULAR WEIGHT (Da) | 224.2120 |
| ACCURATE MASS (Da) | 224.0685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. MWZ14-4 |
| InChIKey | SPXGRHRWLJRRMZ-YLWLKBPMSA-N |
| InChI | InChI=1S/C11H12O5/c1-5(12)8-4-16-11(15)10-7(8)2-6(13)3-9(10)14/h2-3,5,8,12-14H,4H2,1H3/t5-,8+/m0/s1 |
| SMILES | C[C@@H]([C@H]1COC(=O)C2=C(C=C(C=C12)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Qi, Jun; Shao, Chang-Lun; Li, Zhi-Yong; Gan, Li-She; Fu, Xiu-Mei; Bian, Wen-Tao; Zhao, Hong-Ying; Wang, Chang-Yun Isocoumarin derivatives and benzofurans from a sponge-derived Penicillium sp. fungus Journal of Natural Products 2013 76 (4) 571-579. | ||
|---|---|---|---|
| DOI | 10.1021/np3007556 | PMID | 23477451 |
