| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:03 UTC |
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| Update Date | 2025-03-21 18:37:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115298 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C13H15NO5 |
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| Molecular Mass | 265.095 |
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| SMILES | O=C(O)CN=C(O)CCCOC(=O)c1ccccc1 |
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| InChI Key | ZUWWRYRLQHJKAH-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboximidic acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidbenzoylorganic 1,3-dipolar compoundbenzoate esteralpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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