| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:29 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O8 |
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| Molecular Mass | 322.0689 |
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| SMILES | O=C(O)c1ccccc1C(=O)OC1CC(O)(C(=O)O)C=CC1O |
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| InChI Key | DFOBUCCQJZNYSM-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscyclitols and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoylcyclitol or derivativestricarboxylic acid or derivativesbenzoate esterhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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