| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:49 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O2 |
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| Molecular Mass | 220.1212 |
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| SMILES | COc1ccc(NC(=O)C2CCNC2)cc1 |
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| InChI Key | BEAWVMROFRDWGH-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanilidesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesmethoxybenzenesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundn-arylamidealkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminecarboxamide groupmethoxybenzenebeta amino acid or derivativesanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolepyrrolidine-3-carboxamidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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