| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:58 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194284 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CN1CCC(Oc2ccc(O)cc2)(C(=O)O)CC1 |
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| InChI Key | HVVUOBYNEPPSLD-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundspiperidinecarboxylic acidspiperidinestrialkylamines |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compound4-alkoxyphenolazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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