| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:30 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221016 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | O=C(O)c1ccc(O)cc1CCC(O)C(=O)O |
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| InChI Key | ZFYRKNZQYJXBKG-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidalcoholhydroxy acidhydroxybenzoic acidaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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