| 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 | DMID02218626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4 |
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| Molecular Mass | 211.0845 |
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| SMILES | CNCC(O)c1cc(C(=O)O)ccc1O |
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| InChI Key | HJDIPDXMRLGKCP-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-hydroxy-2-unsubstituted benzenoidsamino acidsaromatic alcoholsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidalcoholsecondary aliphatic aminesecondary aminehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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