| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO6 |
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| Molecular Mass | 283.1056 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)C(O)C(N)C(=O)O)cc1 |
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| InChI Key | FMDIDBGNNDOILF-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 | 1,2-diolsalpha amino acidsaromatic alcoholsaromatic monoterpenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-amino acid or derivativesp-cymenecarboxylic acid derivativebeta-hydroxy acidorganic oxide2-phenylpropanoic-acidorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-diolalcoholhydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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