| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:55 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071549 |
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| Frequency | 41.9 |
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| Structure | |
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| Chemical Formula | C14H19NO4 |
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| Molecular Mass | 265.1314 |
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| SMILES | CCN(CC)CCOC(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | FQRDWRWNNKFMQS-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 | benzoic acids and derivatives |
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| Direct Parent | p-phthalate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsp-phthalic acid and derivativestrialkylamines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpara-phthalic acid esterbenzoic acidtertiary aminepara_phthalic_acidtertiary aliphatic aminearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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