| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:37 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO5 |
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| Molecular Mass | 249.0637 |
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| SMILES | O=C(O)CNC(=O)OC(=O)C=Cc1ccccc1 |
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| InChI Key | FEDNIJJTIWCFMK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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