| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:31 UTC |
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| Update Date | 2025-03-21 18:32:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092019 |
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| Frequency | 30.4 |
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| Structure | |
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| Chemical Formula | C16H24O3 |
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| Molecular Mass | 264.1725 |
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| SMILES | Cc1c(C(=O)O)cc(C(C)(C)C)c(O)c1C(C)(C)C |
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| InChI Key | VFVWUNRWEMILEO-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanestoluenes |
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| Substituents | carboxylic acidm-cresolbenzoylcarboxylic acid derivativehydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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