| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:36 UTC |
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| Update Date | 2025-03-25 00:56:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | COc1ccc(CN2C(=O)CCNC2=O)cc1 |
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| InChI Key | NBYPMKOCGYFYFO-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 ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdiazinanesdicarboximideshydrocarbon derivativesmethoxybenzenesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrimidones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundpyrimidonealkyl aryl etherpyrimidine1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl ureacarbonic acid derivativeazacyclemethoxybenzenebeta amino acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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