| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:33 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O6 |
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| Molecular Mass | 254.079 |
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| SMILES | COc1ccccc1OC(=O)CC(O)CC(=O)O |
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| InChI Key | MOZKBBSQKOAOJI-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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