| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:18 UTC |
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| Update Date | 2025-03-21 18:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036880 |
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| Frequency | 95.7 |
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| Structure | |
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| Chemical Formula | C10H10O5 |
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| Molecular Mass | 210.0528 |
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| SMILES | COc1cccc(OC(C)=O)c1C(=O)O |
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| InChI Key | VAKDUSLOAUZICG-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 compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzeneso-methoxybenzoic acids and derivativesorganic oxidesphenol estersphenoxy compounds |
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| Substituents | acylsalicylic acidphenol ethercarbonyl groupethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideo-methoxybenzoic acid or derivatives1-carboxy-2-haloaromatic compoundbenzoic acidmethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolecarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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