| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:38 UTC |
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| Update Date | 2025-03-21 18:04:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051963 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C9H10O6 |
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| Molecular Mass | 214.0477 |
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| SMILES | O=C(O)CC(O)c1c(O)cc(O)cc1O |
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| InChI Key | XPOZXSAEVAUBTM-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphloroglucinols and derivativessecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzenetriol1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativephloroglucinol derivativearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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