Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008941
PROPERTIES
| NPAID | NPA008941 |
|---|---|
| CLUSTER ID | 3762 |
| NODE ID | 2824 |
| NAME | Citrinalin A |
| FORMULA | C15H22O5 |
| MOLECULAR WEIGHT (Da) | 282.3360 |
| ACCURATE MASS (Da) | 282.1467 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | citrinum |
| InChIKey | ZKJBPMKFQZIISQ-YBFAQIKVSA-N |
| InChI | InChI=1S/C15H22O5/c1-7-9(3)19-15-13(7)8(2)12(16)6-14(15,17)18-10(4)11(5)20-15/h7,9-11,17H,6H2,1-5H3/t7-,9-,10-,11-,14-,15-/m1/s1 |
| SMILES | CC1=C2[C@H](C)[C@@H](C)O[C@@]23O[C@H](C)[C@@H](C)O[C@]3(O)CC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pimenta, Eli F.; Vita-Marques, Aline M.; Tininis, Aristeu; Seleghim, Mirna H. R.; Sette, Lara D.; Veloso, Katyuscya; Ferreira, Antonio G.; Williams, David E.; Patrick, Brian O.; Dalisay, Doralyn S.; Andersen, Raymond J.; Berlinck, Roberto G. S. Use of Experimental Design for the Optimization of the Production of New Secondary Metabolites by Two Penicillium Species Journal of Natural Products 2010 73 (11) 1821-1832. | ||
|---|---|---|---|
| DOI | 10.1021/np100470h | PMID | 21053938 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1(CC(=O)C2=C(O1)C=CC3=C2NC(=O)[C@]34C[C@]5(CN6CCC[C@H]6C[C@@H]5C4(C)C)[N+](=O)[O-])C | Pimenta, Eli F.; Vita-Marques, Aline M.; Tininis, Aristeu; Seleghim, Mirna H. R.; Sette, Lara D.; Veloso, Katyuscya; Ferreira, Antonio G.; Williams, David E.; Patrick, Brian O.; Dalisay, Doralyn S.; Andersen, Raymond J.; Berlinck, Roberto G. S. Use of Experimental Design for the Optimization of the Production of New Secondary Metabolites by Two Penicillium Species Journal of Natural Products 2010 73 (11) 1821-1832. DOI: 10.1021/np100470h PMID: 21053938 | ||
| 2 | CC1=C2[C@H](C)[C@@H](C)O[C@@]23O[C@H](C)[C@@H](C)O[C@]3(O)CC1=O | Wang, Fuqian; Zhu, Hucheng; Ma, Haoran; Jiang, Jie; Sun, Weiguang; Cheng, Lu; Zhang, Geng; Zhang, Yonghui Citrinal B, a new secondary metabolite from endophytic fungus Colletotrichum capsici and structure revision of citrinal A Tetrahedron Letters 2016 57 (37) 4250-4253. DOI: 10.1016/j.tetlet.2016.08.029 | ||
