| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:13 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125163 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C16H20O5 |
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| Molecular Mass | 292.1311 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | ZPCWYHANDKWXTP-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 derivativesketonesm-phthalic acid and derivativesorganic oxides |
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| Substituents | meta-phthalic acid estercarbonyl groupcarboxylic acidbenzoylbenzoate estercarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivativebenzoic acidorganooxygen compound |
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