| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11Cl2NO4 |
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| Molecular Mass | 303.0065 |
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| SMILES | O=C(O)C1CC(c2ccc(Cl)c(Cl)c2)C(C(=O)O)N1 |
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| InChI Key | VSLCVSNCHDCPQD-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpyrrolidinespyrrolespyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganochlorideorganohalogen compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-dichlorobenzenepyrrolidineorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativessecondary aliphatic amineazacyclesecondary aminearyl halide3-phenylpyrrolidinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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