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CHEBI:207666 - Emodacidamide H

ChEBI IDCHEBI:207666
ChEBI NameEmodacidamide H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H13NO8
Net Charge0
Average Mass371.301
Monoisotopic Mass371.06412
SMILESC[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O
InChIInChI=1S/C18H13NO8/c1-6(18(26)27)19-17(25)7-2-9-13(11(21)3-7)16(24)14-10(15(9)23)4-8(20)5-12(14)22/h2-6,20-22H,1H3,(H,19,25)(H,26,27)/t6-/m0/s1
InChIKeyBXZNLRLFJBHUCM-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies SCSIO SOF101 (ncbitaxon:1521256) - PubMed (28509552)
ChEBI Ontology
Outgoing Relation(s)
Emodacidamide H (CHEBI:207666) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(2S)-2-[(4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
Manual XrefsDatabases
62285054ChemSpider