| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:38 UTC |
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| Update Date | 2025-03-21 18:35:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104548 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C9H10O4 |
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| Molecular Mass | 182.0579 |
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| SMILES | COC(=O)c1c(O)cccc1OC |
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| InChI Key | YRJIMTHQIPOSJR-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-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | phenol etherethermethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidemethyl estero-methoxybenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esteranisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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