| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:39 UTC |
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| Update Date | 2025-03-25 00:59:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234820 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | Cc1ccccc1C(=O)OCCC=O |
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| InChI Key | VHIPHPHDRFHNAN-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestoluenes |
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| Substituents | carbonyl groupbenzoylaldehydebenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydecarboxylic acid esterhydrocarbon derivativetolueneorganooxygen compound |
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