| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:46 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CC(C)(C)C(O)C(=O)Oc1ccccc1C(=O)O |
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| InChI Key | PLOBXTFUABXHKS-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 | acylsalicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenol estersphenoxy compoundssecondary alcohols |
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| Substituents | acylsalicylic acidfatty acylcarbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidalcoholaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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