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CHEBI:207659 - Emodacidamide G

ChEBI IDCHEBI:207659
ChEBI NameEmodacidamide G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18ClNO8
Net Charge0
Average Mass447.827
Monoisotopic Mass447.07209
SMILESCC(C)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/c1-7(2)3-11(21(30)31)23-20(29)8-4-9-14(12(24)5-8)18(27)15-10(17(9)26)6-13(25)16(22)19(15)28/h4-7,11,24-25,28H,3H2,1-2H3,(H,23,29)(H,30,31)/t11-/m0/s1
InChIKeyVOXKCJAIEWKHLK-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide G (CHEBI:207659) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S)-2-[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-4-methylpentanoic acid
Manual XrefsDatabases
62285053ChemSpider