| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:43 UTC |
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| Update Date | 2025-03-25 00:56:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3 |
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| Molecular Mass | 262.1317 |
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| SMILES | COc1ccc2[nH]cc(CC(N)C(C)C(=O)O)c2c1 |
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| InChI Key | GIVXEXQWOVAGLK-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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