| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:47 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017074 |
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| Frequency | 248.3 |
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| Structure | |
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| Chemical Formula | C10H12O5 |
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| Molecular Mass | 212.0685 |
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| SMILES | COc1cc(OC)c(C(=O)O)c(OC)c1 |
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| InChI Key | JATAKEDDMQNPOQ-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 compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativeso-methoxybenzoic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisoleo-methoxybenzoic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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