| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:42:06 UTC |
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| Update Date | 2025-03-21 17:59:17 UTC |
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| HMDB ID | HMDB0254869 |
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| Metabolite Identification |
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| DeepMet ID | DMID00019987 |
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| Name | Monooctyl phthalate |
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| Frequency | 203.4 |
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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 | CCCCCCCCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | PKIYFBICNICNGJ-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 | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | carboxylic acidbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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