| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:26 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132796 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C8H8O8S |
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| Molecular Mass | 263.994 |
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| SMILES | COc1cc(O)c(C(=O)O)c(OS(=O)(=O)O)c1 |
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| InChI Key | HKYIYMDROGAJFH-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-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessalicylic acidssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethersulfuric acid monoesterethercarboxylic acidmethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxidearylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesp-methoxybenzoic acid or derivativesanisolesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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