| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:41 UTC |
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| Update Date | 2025-03-21 18:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056676 |
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| Frequency | 56.2 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | COc1cc(CCC(=O)O)ccc1OC(=O)CC(=O)O |
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| InChI Key | ZYMFDDHVNDKJCI-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 ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesmethoxybenzenesorganic oxidesphenol estersphenoxy compoundstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolecarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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