| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:37:28 UTC |
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| Update Date | 2025-03-21 17:57:42 UTC |
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| HMDB ID | HMDB0001879 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009573 |
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| Name | Aspirin |
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| Frequency | 502.0 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | CC(=O)Oc1ccccc1C(=O)O |
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| InChI Key | BSYNRYMUTXBXSQ-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 derivativeshydrocarbon derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | acylsalicylic acidcarbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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