Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001544
PROPERTIES
| NPAID | NPA001544 |
|---|---|
| CLUSTER ID | 78 |
| NODE ID | 73 |
| NAME | Oxalicumone E |
| FORMULA | C18H18O8S |
| MOLECULAR WEIGHT (Da) | 394.4010 |
| ACCURATE MASS (Da) | 394.0722 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | oxalicum SCSGAF 0023 |
| InChIKey | MFZYMIIJIRJVLM-RSXQAXDFSA-N |
| InChI | InChI=1S/C18H18O8S/c1-8-4-10(19)14-11(5-8)26-16-9(15(14)21)6-12(27-16)18(23,17(22)25-3)7-13(20)24-2/h4-5,12,19,23H,6-7H2,1-3H3/t12-,18?/m0/s1 |
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(O2)S[C@@H](C3)C(CC(=O)OC)(C(=O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bao, Jie; Luo, Jin-Feng; Qin, Xiao-Chu; Xu, Xin-Ya; Zhang, Xiao-Yong; Tu, Zheng-Chao; Qi, Shu-Hua Dihydrothiophene-condensed chromones from a marine-derived fungus Penicillium oxalicum and their structure-bioactivity relationship Bioorganic and Medicinal Chemistry Letters 2014 24 (11) 2433-2436. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2014.04.028 | PMID | 24767845 |
