| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:21 UTC |
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| Update Date | 2025-03-21 18:33:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094044 |
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| Frequency | 29.6 |
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| Structure | |
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| Chemical Formula | C16H22O5 |
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| Molecular Mass | 294.1467 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | SXAQBAAZDISELS-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 derivativesfatty alcoholshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmeta-phthalic acid estercarboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivativebenzoic acidorganooxygen compound |
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