| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:53:07 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | HMDB0061748 |
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| Metabolite Identification |
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| DeepMet ID | DMID00046039 |
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| Name | Mono-(3-carboxypropyl) phthalate |
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| Frequency | 73.0 |
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| Structure | |
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| Chemical Formula | C12H12O6 |
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| Molecular Mass | 252.0634 |
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| SMILES | O=C(O)CCCOC(=O)c1ccccc1C(=O)O |
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| InChI Key | IYTPMLIWBZMBSL-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 derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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