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CHEBI:226607 - 2-chloroemodic acid

ChEBI IDCHEBI:226607
ChEBI Name2-chloroemodic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H7ClO7
Net Charge0
Average Mass334.667
Monoisotopic Mass333.98803
SMILESO=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O
InChIInChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)
InChIKeyJGHTWRZCNLXYPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium restrictum (ncbitaxon:69784) - PubMed (24911880)
ChEBI Ontology
Outgoing Relation(s)
2-chloroemodic acid (CHEBI:226607) is a anthracenes (CHEBI:46955)
IUPAC Name 
6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Manual XrefsDatabases
22369700ChemSpider