| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:20 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130227 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | O=C(O)CCCOc1ccc(C(=O)O)cc1 |
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| InChI Key | OTIULIJJWBIISR-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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