| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:19 UTC |
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| Update Date | 2025-03-21 18:32:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091559 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C9H8O6 |
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| Molecular Mass | 212.0321 |
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| SMILES | COc1cc(C(=O)O)cc(C(=O)O)c1O |
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| InChI Key | NLSSJYQPZIQJNC-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 | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssalicylic acidsvinylogous acids |
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| Substituents | phenol etherethercarboxylic acidbenzoylmethoxyphenolsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxidemeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesanisoledicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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