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CHEBI:207639 - Emodacidamide D

ChEBI IDCHEBI:207639
ChEBI NameEmodacidamide D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H21NO8
Net Charge0
Average Mass427.409
Monoisotopic Mass427.12672
SMILESCC[C@H](C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)OC
InChIInChI=1S/C22H21NO8/c1-4-9(2)18(22(30)31-3)23-21(29)10-5-12-16(14(25)6-10)20(28)17-13(19(12)27)7-11(24)8-15(17)26/h5-9,18,24-26H,4H2,1-3H3,(H,23,29)/t9-,18-/m0/s1
InChIKeyRHIKPDQWISFYIG-YYSFKGJASA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide D (CHEBI:207639) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
methyl (2S,3S)-3-methyl-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]pentanoate
Manual XrefsDatabases
78438964ChemSpider