| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13ClN2O4 |
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| Molecular Mass | 296.0564 |
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| SMILES | O=C(O)C1=C(CNc2ccc(Cl)cc2)CC(C(=O)O)N1 |
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| InChI Key | LNDAXSMEBMNOHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylalkylaminespyrroline 2-carboxylic acidssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzenesecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidsecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundpyrrolinepyrroline carboxylic aciddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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