| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:30 UTC |
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| Update Date | 2025-03-21 18:06:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065719 |
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| Frequency | 46.5 |
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| Structure | |
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| Chemical Formula | C8H6O6 |
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| Molecular Mass | 198.0164 |
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| SMILES | O=C(O)c1ccc(O)c(C(=O)O)c1O |
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| InChI Key | YWJNJZBDYHRABW-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsresorcinolssalicylic acidsvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolhydroxybenzoic 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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