| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:39 UTC |
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| Update Date | 2025-03-25 00:47:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5 |
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| Molecular Mass | 210.0528 |
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| SMILES | O=CC(c1ccc(O)cc1)C(O)C(=O)O |
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| InChI Key | LWTRAWHBIVNRTI-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 benzenoidsalpha hydroxy acids and derivativesbeta-hydroxy aldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenylacetaldehydessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietybeta-hydroxy aldehydecarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidaldehydehydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundphenylacetaldehyde |
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