| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:10 UTC |
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| Update Date | 2025-03-21 18:36:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108333 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | CCCOC(=O)c1cc(O)c(O)c(O)c1C |
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| InChI Key | UKSOQOVTIDCMTQ-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 | m-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 derivativescarboxylic acid estershydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativestoluenesp-hydroxybenzoic acid alkyl esters |
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| Substituents | p-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidep-cresolo-cresolm-hydroxybenzoic acid esterpyrogallol derivativem-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativetolueneorganooxygen compound |
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