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CHEBI:224936 - Clavorubin

ChEBI IDCHEBI:224936
ChEBI NameClavorubin
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SubmitterMetaboLights
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FormulaC16H10O8
Net Charge0
Average Mass330.248
Monoisotopic Mass330.03757
SMILESCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)c(O)c1C2=O
InChIInChI=1S/C16H10O8/c1-4-2-5-9(14(21)8(4)16(23)24)15(22)10-6(17)3-7(18)13(20)11(10)12(5)19/h2-3,17-18,20-21H,1H3,(H,23,24)
InChIKeyREDGYIBZSZFWKD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Claviceps purpurea (ncbitaxon:5111) - DOI (10.1002/ange.19590711207)
ChEBI Ontology
Outgoing Relation(s)
Clavorubin (CHEBI:224936) is a anthracenes (CHEBI:46955)
IUPAC Name 
1,5,6,8-tetrahydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
Manual XrefsDatabases
4475134ChemSpider