| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:39 UTC |
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| Update Date | 2025-03-21 18:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035304 |
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| Frequency | 101.1 |
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| Structure | |
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| Chemical Formula | C10H10O6 |
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| Molecular Mass | 226.0477 |
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| SMILES | O=C(OCC(O)C(=O)O)c1ccccc1O |
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| InChI Key | NDBFCKZXHGTVKH-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidessalicylic acid and derivativessecondary alcoholssugar acids and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideglyceric_acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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