| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:03 UTC |
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| Update Date | 2025-03-21 18:33:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098202 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | COc1cc(C(=O)O)cc(C(=O)O)c1 |
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| InChI Key | POSMIIJADZKUPL-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoledicarboxylic acid or derivativesmeta_phthalic_acidhydrocarbon derivativebenzoic acidphenoxy compoundm-methoxybenzoic acid or derivativesorganooxygen compound |
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