| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:56 UTC |
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| Update Date | 2025-03-21 18:41:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136203 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C14H15N3O4 |
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| Molecular Mass | 289.1063 |
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| SMILES | O=C(NC(Cc1c[nH]cn1)C(=O)O)OCc1ccccc1 |
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| InChI Key | WCOJOHPAKJFUDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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