| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:06 UTC |
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| Update Date | 2025-03-21 18:05:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060053 |
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| Frequency | 52.2 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CCCCOC(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | DEXIXJNJNZNAHN-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 | m-phthalate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | meta-phthalic acid estercarboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivativebenzoic acidorganooxygen compound |
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