| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:34 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018826 |
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| Frequency | 219.0 |
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| Structure | |
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| Chemical Formula | C11H14O6 |
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| Molecular Mass | 242.079 |
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| SMILES | COc1cc(CC(O)C(=O)O)cc(OC)c1O |
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| InChI Key | HASHRMGKSZWHLI-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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