Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:12 UTC |
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Update Date | 2025-03-21 18:35:00 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103482 |
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Frequency | 26.3 |
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Structure | |
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Chemical Formula | C13H13NO3 |
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Molecular Mass | 231.0895 |
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SMILES | CC1=C(Cc2ccccc2)C(C(=O)O)NC1=O |
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InChI Key | CHALVCDPYRYEAW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic acids and derivatives |
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Class | peptidomimetics |
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Subclass | hybrid peptides |
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Direct Parent | hybrid peptides |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | alpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidssecondary carboxylic acid amides |
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Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcyclic hybrid peptideazacyclepyrroline carboxylic acid or derivativescarboxamide grouppyrroline 2-carboxylic acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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