Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024759
PROPERTIES
| NPAID | NPA024759 |
|---|---|
| CLUSTER ID | 1513 |
| NODE ID | 43 |
| NAME | JBIR-87 |
| FORMULA | C19H19NO6 |
| MOLECULAR WEIGHT (Da) | 357.3620 |
| ACCURATE MASS (Da) | 357.1212 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. fJ80 |
| InChIKey | XUGXERDQTCXIBU-LBPRGKRZSA-N |
| InChI | InChI=1S/C19H19NO6/c1-12(19(24)25-2)8-17(22)20-18(23)15-11-26-14(10-16(15)21)9-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,20,22,23)/t12-/m0/s1 |
| SMILES | COC(=O)[C@@H](C)CC(=O)NC(=O)C1=COC(CC2=CC=CC=C2)=CC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takagi M; Motohashi K; Hwang JH; Nagai A; Shin-Ya K New tensidols, JBIR-86 and JBIR-87, isolated from Aspergillus sp. fJ80. Journal of Antibiotics 2010 63 (7) 371-373. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.45 | PMID | 20461106 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(COC1=COC2=C1C(=CN2CC3=CC=CC=C3)O)C(=O)OC | Takagi M; Motohashi K; Hwang JH; Nagai A; Shin-Ya K New tensidols, JBIR-86 and JBIR-87, isolated from Aspergillus sp. fJ80. Journal of Antibiotics 2010 63 (7) 371-373. DOI: 10.1038/ja.2010.45 PMID: 20461106 | ||
| 2 | COC(=O)[C@@H](C)CC(=O)NC(=O)C1=COC(CC2=CC=CC=C2)=CC1=O | Henrikson, Jon C; Ellis, Trevor K; King, Jarrod B; Cichewicz, Robert H Reappraising the structures and distribution of metabolites from black aspergilli containing uncommon 2-benzyl-4H-pyran-4-one and 2-benzylpyridin-4(1H)-one systems. Journal of Natural Products 2011 74 (9) 1959-64. DOI: 10.1021/np200454z PMID: 21854017 | ||
