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CHEBI:207634 - Emodacidamide C

ChEBI IDCHEBI:207634
ChEBI NameEmodacidamide C
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SubmitterMetaboLights
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FormulaC20H16ClNO8
Net Charge0
Average Mass433.800
Monoisotopic Mass433.05644
SMILESCC(C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O)C(=O)O
InChIInChI=1S/C20H16ClNO8/c1-6(2)15(20(29)30)22-19(28)7-3-8-12(10(23)4-7)17(26)13-9(16(8)25)5-11(24)14(21)18(13)27/h3-6,15,23-24,27H,1-2H3,(H,22,28)(H,29,30)/t15-/m0/s1
InChIKeyAVIVKUDKCMVAOA-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide C (CHEBI:207634) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S)-2-[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylbutanoic acid
Manual XrefsDatabases
62285049ChemSpider