| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148836 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | O=C(O)CCc1ccc(OCC(=O)C(O)CO)cc1 |
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| InChI Key | HOJDOYIHVDHZIH-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 | 1,2-diolsacyloinsalkyl aryl ethersalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | beta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidmonosaccharidealkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideprimary alcohol1,2-diolalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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