| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:06 UTC |
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| Update Date | 2025-03-21 18:34:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103252 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C14H16O8 |
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| Molecular Mass | 312.0845 |
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| SMILES | O=C(OC1CC(C(=O)O)C(O)C(O)C1O)c1ccccc1O |
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| InChI Key | DABRXTUZSNXIIX-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 benzenoidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessalicylic acid and derivativesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidealcoholcyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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