| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:01 UTC |
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| Update Date | 2025-03-21 18:28:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071749 |
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| Frequency | 41.8 |
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| Structure | |
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| Chemical Formula | C14H21NO5 |
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| Molecular Mass | 283.142 |
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| SMILES | COc1cc(C(=O)O)ccc1OCC(O)CNC(C)C |
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| InChI Key | TVGYNONPLGACBZ-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 | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol etherethercarboxylic acidamino acid or derivativesamino acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidm-methoxybenzoic acid or derivativesalcoholsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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