| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:29 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218646 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5 |
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| Molecular Mass | 241.095 |
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| SMILES | CNCC(O)COc1ccc(O)cc1C(=O)O |
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| InChI Key | WOSIHNXAYGRTGA-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersamino acidsbenzoic acidsbenzoyl derivativesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidalcoholsecondary aliphatic amine4-alkoxyphenolsecondary aminehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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