CHEBI:108082 - 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid

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ChEBI Name 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid
ChEBI ID CHEBI:108082
Stars This entity has been manually annotated by a third party.
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Formula C18H17NO4S
Net Charge 0
Average Mass 343.399
Monoisotopic Mass 343.08783
InChI InChI=1S/C18H17NO4S/c20-15(21)8-11-24-10-3-9-19-17(22)13-6-1-4-12-5-2-7-14(16(12)13)18(19)23/h1-2,4-7H,3,8-11H2,(H,20,21)
InChIKey GTKXGZUMBCLIJE-UHFFFAOYSA-N
SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSCCC(=O)O
ChEBI Ontology
Outgoing 3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid (CHEBI:108082) is a isoquinolines (CHEBI:24922)
Manual Xref Database
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