| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:42 UTC |
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| Update Date | 2025-03-25 00:48:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168617 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CC(C)(O)c1ccc(C(O)CC(=O)C(=O)O)cc1 |
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| InChI Key | OCYKNTZSIBXSBI-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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