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CHEBI:207647 - Emodacidamide E

ChEBI IDCHEBI:207647
ChEBI NameEmodacidamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19NO8
Net Charge0
Average Mass413.382
Monoisotopic Mass413.11107
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O
InChIInChI=1S/C21H19NO8/c1-3-8(2)17(21(29)30)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,3H2,1-2H3,(H,22,28)(H,29,30)/t8-,17-/m0/s1
InChIKeyUVFFSOBWYUVHFJ-QPFGOUBPSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide E (CHEBI:207647) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S,3S)-3-methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]pentanoic acid
Manual XrefsDatabases
78438965ChemSpider