| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:55 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6 |
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| Molecular Mass | 255.0743 |
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| SMILES | CC(=O)Nc1cc(C(O)CC(=O)O)c(O)cc1O |
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| InChI Key | JSKXZIOOPSUBJJ-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-hydroxy-2-unsubstituted benzenoidsacetamidesacetanilidesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsresorcinolssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidn-acetylarylamine3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeresorcinolbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholacetanilidehydroxy acidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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