| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O12 |
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| Molecular Mass | 404.0955 |
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| SMILES | O=C(Cc1cc(O)cc(O)c1)C(=O)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | GRKYCHZBMOJIPO-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha-keto acids and derivativescarbonyl hydratescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesresorcinolssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeresorcinolketonesaccharideorganic oxideacetalalpha-keto acidoxaneorganoheterocyclic compoundalcoholphenylpyruvate1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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