Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018953
PROPERTIES
NPAID | NPA018953 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Asparasone A |
FORMULA | C18H14O8 |
MOLECULAR WEIGHT (Da) | 358.3020 |
ACCURATE MASS (Da) | 358.0689 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Aspergillus |
ORIGIN SPECIES | parasiticus |
InChIKey | JXNCVINFWDAYCA-UHFFFAOYSA-N |
InChI | InChI=1S/C18H14O8/c1-6(19)2-10(21)15-12(23)5-9-14(18(15)26)17(25)13-8(16(9)24)3-7(20)4-11(13)22/h3-5,10,20-23,26H,2H2,1H3 |
SMILES | CC(=O)CC(C1=C(C=C2C(=C1O)C(=O)C3=C(C=C(C=C3C2=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Sobolev; Cole; Dorner; Horn; Harrigan; Gloer Isolation and structure elucidation of a new metabolite produced by Aspergillus parasiticus Journal of Natural Products 1997 60 (8) 847-850. | ||
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DOI | 10.1021/np970131m | PMID | - |