Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022747
PROPERTIES
| NPAID | NPA022747 |
|---|---|
| CLUSTER ID | 11 |
| NODE ID | 11 |
| NAME | Setosphapyrone C |
| FORMULA | C11H14O5 |
| MOLECULAR WEIGHT (Da) | 226.2280 |
| ACCURATE MASS (Da) | 226.0841 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setosphaeria |
| ORIGIN SPECIES | sp. SCSIO41009 |
| InChIKey | ZMBGNPQCIINEBT-UHFFFAOYSA-N |
| InChI | InChI=1S/C11H14O5/c1-7-8(4-3-5-10(12)13)9(15-2)6-11(14)16-7/h6H,3-5H2,1-2H3,(H,12,13) |
| SMILES | CC1=C(C(=CC(=O)O1)OC)CCCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009. Journal of Natural Products 2018 81 (8) 1860-1868. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00345 | PMID | 30091601 |
