Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000849306 | Gold | 1!CCMSLIB00000849309 |
| CCMSLIB00012131497 | Gold | 4 |
| CCMSLIB00012131498 | Gold | 4 |
| CCMSLIB00012131499 | Gold | 4 |
| CCMSLIB00009971294 | Gold | 4 |
| CCMSLIB00009971295 | Gold | 4 |
| CCMSLIB00009971296 | Gold | 4 |
COMPOUND NPA008031
PROPERTIES
| NPAID | NPA008031 |
|---|---|
| CLUSTER ID | 22 |
| NODE ID | 21 |
| NAME | Sumalarin C |
| FORMULA | C19H24O8S |
| MOLECULAR WEIGHT (Da) | 412.4600 |
| ACCURATE MASS (Da) | 412.1192 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sumatrense MA-92 |
| InChIKey | XQMZRINLFAOTEN-YNZJMPHRSA-N |
| InChI | InChI=1S/C19H24O8S/c1-10-3-2-4-13(28-9-16(23)19(25)26)8-15(22)18-11(6-17(24)27-10)5-12(20)7-14(18)21/h5,7,10,13,16,20-21,23H,2-4,6,8-9H2,1H3,(H,25,26)/t10-,13-,16+/m0/s1 |
| SMILES | C[C@H]1CCC[C@@H](CC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O)SC[C@H](C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Li, Chun-Shun; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui Sulfur-containing cytotoxic curvularin macrolides from Penicillium sumatrense MA-92, a fungus obtained from the rhizosphere of the mangrove Lumnitzera racemosa Journal of Natural Products 2013 76 (11) 2145-2149. | ||
|---|---|---|---|
| DOI | 10.1021/np400614f | PMID | 24195466 |
