| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208745 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO5 |
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| Molecular Mass | 281.1263 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)CCNCC(=O)O)cc1 |
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| InChI Key | PLLDZRUDMGVFPG-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaromatic alcoholsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminearomatic monoterpenoid |
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