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CHEBI:212554 - Asparasone A

ChEBI IDCHEBI:212554
ChEBI NameAsparasone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O8
Net Charge0
Average Mass358.302
Monoisotopic Mass358.06887
SMILESCC(=O)C[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=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/t10-/m0/s1
InChIKeyJXNCVINFWDAYCA-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - DOI (10.1021/np970131m)
ChEBI Ontology
Outgoing Relation(s)
Asparasone A (CHEBI:212554) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
1,3,6,8-tetrahydroxy-2-(1-hydroxy-3-oxobutyl)anthracene-9,10-dione
Manual XrefsDatabases
8983600ChemSpider