| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:18 UTC |
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| Update Date | 2025-03-21 18:31:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084443 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C14H16N2O4 |
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| Molecular Mass | 276.111 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(OCC(=O)O)cc12 |
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| InChI Key | KNAACSRGEOSADH-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 heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol etherspyrrolessecondary carboxylic acid amides |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidindolealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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