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CHEBI:205853 - Emodin-3-O-sulphate

ChEBI IDCHEBI:205853
ChEBI NameEmodin-3-O-sulphate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O8S
Net Charge0
Average Mass350.304
Monoisotopic Mass350.00964
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(OS(=O)(=O)O)cc(O)c1C2=O
InChIInChI=1S/C15H10O8S/c1-6-2-8-12(10(16)3-6)15(19)13-9(14(8)18)4-7(5-11(13)17)23-24(20,21)22/h2-5,16-17H,1H3,(H,20,21,22)
InChIKeyUEUSMICBGBJADX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (24261577)
ChEBI Ontology
Outgoing Relation(s)
Emodin-3-O-sulphate (CHEBI:205853) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl) hydrogen sulate
Manual XrefsDatabases
32033800ChemSpider