| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:57 UTC |
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| Update Date | 2025-03-25 00:49:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5 |
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| Molecular Mass | 253.095 |
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| SMILES | CN(C)c1ccc(OC(CC(=O)O)C(=O)O)cc1 |
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| InChI Key | YRRUOKNDUNXDNM-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsaminophenyl ethersaniline and substituted anilinescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineaniline or substituted anilinesaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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