| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:52:16 UTC |
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| Update Date | 2025-03-21 18:03:24 UTC |
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| HMDB ID | HMDB0013835 |
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| Metabolite Identification |
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| DeepMet ID | DMID00044005 |
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| Name | Diisobutyl phthalate |
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| Frequency | 77.0 |
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| Structure | |
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| Chemical Formula | C16H22O4 |
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| Molecular Mass | 278.1518 |
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| SMILES | CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C |
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| InChI Key | MGWAVDBGNNKXQV-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 acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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