| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:48 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226194 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | CC(O)(CO)c1cccc(C(=O)O)c1 |
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| InChI Key | XASGKFLLWBDSOY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsaromatic alcoholsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidorganooxygen compound1,2-diol |
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