| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:00 UTC |
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| Update Date | 2025-03-21 17:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017574 |
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| Frequency | 239.2 |
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| Structure | |
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| Chemical Formula | C11H10O7 |
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| Molecular Mass | 254.0427 |
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| SMILES | O=C(O)c1ccccc1C(=O)OCC(O)C(=O)O |
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| InChI Key | RBGFXKXBTJKWFL-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 estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcoholssugar acids and derivativestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbenzoylmonosaccharidetricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativesaccharideorganic oxideglyceric_acid1-carboxy-2-haloaromatic compoundbenzoic acidalcoholhydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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