| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:59 UTC |
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| Update Date | 2025-03-21 18:33:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095562 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C14H19NO5 |
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| Molecular Mass | 281.1263 |
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| SMILES | CC(C)NCC(O)COC(=O)c1ccccc1C(=O)O |
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| InChI Key | SFCNXIGKUAGFTI-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativescarboxylic acid estersdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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