Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033198
PROPERTIES
| NPAID | NPA033198 |
|---|---|
| CLUSTER ID | 873 |
| NODE ID | 755 |
| NAME | Penigainamide B |
| FORMULA | C21H22N2O8S |
| MOLECULAR WEIGHT (Da) | 462.4800 |
| ACCURATE MASS (Da) | 462.1097 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | steckii KUC1681-1 |
| InChIKey | FXSSKIYDLXEJOO-MVMWFNCZSA-N |
| InChI | InChI=1S/C21H22N2O8S/c1-22-13-16(9-4-6-11(28-2)15(29-3)14(9)25)32-21(19(22)27)8-20-12(30-20)7-5-10(24)17(20)31-23(21)18(13)26/h4-7,10,12-13,16-17,24-25H,8H2,1-3H3/t10-,12+,13-,16+,17+,20+,21-/m1/s1 |
| SMILES | COC1=C(OC)C(O)=C([C@@H]2S[C@@]34C[C@]56O[C@H]5C=C[C@@H](O)[C@@H]6ON3C(=O)[C@@H]2N(C)C4=O)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiang, Guangde; Zhang, Peilan; Ratnayake, Ranjala; Yang, Guang; Zhang, Yi; Zuo, Ran; Powell, Magan; Huguet-Tapia, José C; Abboud, Khalil A; Dang, Long H; Teplitski, Max; Paul, Valerie; Xiao, Rui; Ahammad, K H; Zaman, Uz; Hu, Zhenquan; Cao, Shugeng; Luesch, Hendrik; Ding, Yousong Fungal Epithiodiketopiperazines Carrying α,β-Polysulfide Bridges from Penicillium steckii YE, and Their Chemical Interconversion. ChemBioChem 2021 22 (2) 416-422. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.202000403 | PMID | 32816319 |
