| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:08 UTC |
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| Update Date | 2025-03-21 18:02:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038876 |
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| Frequency | 89.8 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC(C)(C)c1cc(CO)cc(C(=O)O)c1O |
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| InChI Key | SBGBWHOHAASFQF-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativesbenzyl alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenolsphenylpropanesvinylogous acids |
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| Substituents | aromatic alcoholalcoholcarboxylic acidbenzoylsalicylic acidbenzyl alcoholcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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