Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022758
PROPERTIES
| NPAID | NPA022758 |
|---|---|
| CLUSTER ID | 1347 |
| NODE ID | 1134 |
| NAME | (S)-colletotrialide |
| FORMULA | C16H20O6 |
| MOLECULAR WEIGHT (Da) | 308.3300 |
| ACCURATE MASS (Da) | 308.1260 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Setosphaeria |
| ORIGIN SPECIES | sp. SCSIO41009 |
| InChIKey | ZMZJTAURJHTVMU-NSHDSACASA-N |
| InChI | InChI=1S/C16H20O6/c1-4-5-9(17)6-7-11-10-8-12(20-2)15(21-3)14(18)13(10)16(19)22-11/h8,11,18H,4-7H2,1-3H3/t11-/m0/s1 |
| SMILES | CCCC(=O)CC[C@H]1C2=CC(=C(C(=C2C(=O)O1)O)OC)OC |
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 |
