Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA013317
PROPERTIES
NPAID | NPA013317 |
---|---|
CLUSTER ID | 16 |
NODE ID | 16 |
NAME | Mangiferaelactone |
FORMULA | C20H32O8 |
MOLECULAR WEIGHT (Da) | 400.4680 |
ACCURATE MASS (Da) | 400.2097 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Pestalotiopsis |
ORIGIN SPECIES | mangiferae |
InChIKey | OUOHBCJNWADUGG-WFRFMXGVSA-N |
InChI | InChI=1S/C20H32O8/c1-2-3-4-5-6-7-16-20(26)15(21)10-8-14(9-12-19(25)28-16)27-18(24)13-11-17(22)23/h8,10,14-16,20-21,26H,2-7,9,11-13H2,1H3,(H,22,23)/b10-8+/t14-,15+,16-,20+/m0/s1 |
SMILES | CCCCCCC[C@H]1[C@@H]([C@@H](/C=C/[C@@H](CCC(=O)O1)OC(=O)CCC(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Ortega, Humberto E.; Shen, Young Yongchun; Tendyke, Karen; Rios, Nivia; Cubilla-Rios, Luis Polyhydroxylated macrolide isolated from the endophytic fungus Pestalotiopsis mangiferae Tetrahedron Letters 2014 55 (16) 2642-2645. | ||
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DOI | 10.1016/j.tetlet.2014.03.012 | PMID | - |