| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:17 UTC |
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| Update Date | 2025-03-21 18:37:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115870 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | COc1cc(C)c(C(=O)O)cc1OC |
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| InChI Key | PRPBPUNVOHTNDA-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 compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compoundstoluenes |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzene1-carboxy-2-haloaromatic compoundbenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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