| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:15 UTC |
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| Update Date | 2025-03-21 18:04:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048727 |
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| Frequency | 67.9 |
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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)ccc1C(=O)O |
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| InChI Key | VQBBXLZPRXHYBO-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 | p-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzeneso-methoxybenzoic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisoleo-methoxybenzoic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundm-methoxybenzoic acid or derivativesorganooxygen compoundpara_phthalic_acid |
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