| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:08 UTC |
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| Update Date | 2025-03-21 18:36:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113068 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C11H10O5 |
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| Molecular Mass | 222.0528 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)C(=O)O)cc1 |
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| InChI Key | HKLSRILSGKEUKG-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-keto acids and derivativesaromatic monoterpenoidsaryl ketonesbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidbenzoylp-cymenecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-acidketo acidalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoidaryl ketone |
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