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CHEBI:207628 - Emodacidamide B

ChEBI IDCHEBI:207628
ChEBI NameEmodacidamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17NO8
Net Charge0
Average Mass399.355
Monoisotopic Mass399.09542
SMILESCC(C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O
InChIInChI=1S/C20H17NO8/c1-7(2)16(20(28)29)21-19(27)8-3-10-14(12(23)4-8)18(26)15-11(17(10)25)5-9(22)6-13(15)24/h3-7,16,22-24H,1-2H3,(H,21,27)(H,28,29)/t16-/m0/s1
InChIKeyUCVOTAWBWPEXMD-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide B (CHEBI:207628) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S)-3-methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]butanoic acid
Manual XrefsDatabases
62285048ChemSpider