| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:15 UTC |
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| Update Date | 2025-03-21 18:38:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122952 |
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| Frequency | 21.0 |
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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 | COc1cc(C)c(O)c(C(=O)O)c1 |
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| InChI Key | MACPYBDBXVLDRB-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-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds4-alkoxyphenolsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenoxy compoundssalicylic acidstoluenesvinylogous acids |
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| Substituents | phenol etherethercarboxylic acidbenzoylmethoxyphenolsalicylic acidalkyl aryl ethercarboxylic acid derivativeorganic oxideo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivatives4-alkoxyphenolmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesanisolephenolhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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