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CHEBI:232633 - AT 116, benzylamine salt

Default Structure
ChEBI IDCHEBI:232633
ChEBI NameAT 116, benzylamine salt
Stars
Submitteramillett1
DownloadsMolfile
FormulaC15H16O5.C7H9N
Net Charge0
Average Mass383.444
Monoisotopic Mass383.17327
SMILESCC1=CC23C(COC(=O)C24CO4)C(C(=O)O)=CC3C1C.NCc1ccccc1
InChIInChI=1S/C15H16O5.C7H9N/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15;8-6-7-4-2-1-3-5-7/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17);1-5H,6,8H2
InChIKeyIFBNAVDXUJSDEH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
AT 116, benzylamine salt (CHEBI:232633) is a organic molecular entity (CHEBI:50860)
Synonym  Source
NSC136037SUBMITTER