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CHEBI:31668 - Hepronicate

Default Structure
ChEBI IDCHEBI:31668
ChEBI NameHepronicate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H31N3O6
Net Charge0
Average Mass505.571
Monoisotopic Mass505.22129
SMILESCCCCCCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1
InChIInChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3
InChIKeyGUIBJJJLGSYNKE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Hepronicate (CHEBI:31668) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
HepronicateKEGG COMPOUND
megrinDrugCentral
Manual XrefsDatabases
1359DrugCentral
D01882KEGG DRUG
Registry NumbersSources
CAS:7237-81-2KEGG COMPOUND