| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:15 UTC |
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| Update Date | 2025-03-21 17:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020323 |
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| Frequency | 199.5 |
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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)C(=O)c1c(O)cc(O)cc1O |
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| InChI Key | BMRQRDSXSJLTAI-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | acylphloroglucinols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | acylphloroglucinol derivativemonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeketonearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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