| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:37 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O5 |
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| Molecular Mass | 198.0528 |
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| SMILES | COC(=O)c1c(O)cc(O)c(C)c1O |
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| InChI Key | NWSPBMGYCRGLLL-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 | p-hydroxybenzoic acid alkyl 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 derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolsphloroglucinols and derivativessalicylic acid and derivativestoluenesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativephloroglucinol derivativeorganic oxidemethyl esterp-cresolo-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativetolueneorganooxygen compound |
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