| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:50 UTC |
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| Update Date | 2025-03-21 17:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003466 |
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| Frequency | 1681.5 |
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| Structure | |
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| Chemical Formula | C8H6O5 |
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| Molecular Mass | 182.0215 |
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| SMILES | O=C(O)c1ccc(O)c(C(=O)O)c1 |
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| InChI Key | BCEQKAQCUWUNML-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 compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssalicylic acidsvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolmeta_phthalic_acidhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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