| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:04 UTC |
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| Update Date | 2025-03-25 00:50:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | O=C(OC1OC(C(O)O)C(O)C(O)C1O)C(=O)c1ccccc1 |
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| InChI Key | PONVZHFXRUATII-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha-keto acids and derivativesaryl ketonescarbonyl hydratescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | carbonyl groupcarbonyl hydratearomatic heteromonocyclic compoundbenzoylmonosaccharidecarboxylic acid derivativeketonesaccharideorganic oxideacetalalpha-keto acidoxaneorganoheterocyclic compoundalcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compoundaryl ketone |
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