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CHEBI:207653 - Emodacidamide F

ChEBI IDCHEBI:207653
ChEBI NameEmodacidamide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18ClNO8
Net Charge0
Average Mass447.827
Monoisotopic Mass447.07209
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O)C(=O)O
InChIInChI=1S/C21H18ClNO8/c1-3-7(2)16(21(30)31)23-20(29)8-4-9-13(11(24)5-8)18(27)14-10(17(9)26)6-12(25)15(22)19(14)28/h4-7,16,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t7-,16-/m0/s1
InChIKeyWHACVUABXCQHBE-GYKQLYQFSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide F (CHEBI:207653) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S,3S)-2-[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylpentanoic acid
Manual XrefsDatabases
78438966ChemSpider