| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:00 UTC |
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| Update Date | 2025-03-21 18:39:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127027 |
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| Frequency | 20.1 |
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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)C(O)c1ccccc1C(=O)O |
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| InChI Key | XIVPQFRUKBJSTI-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-carboxy-2-haloaromatic compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound1,2-diol |
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