| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | C=C(C)c1ccc(C(=O)O)cc1C |
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| InChI Key | HSQYNLSSBOJZPW-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 | phenylpropenes |
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| Direct Parent | phenylpropenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundstoluenes |
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| Substituents | carboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenylpropenehydrocarbon derivativebenzoic acidtolueneorganooxygen compound |
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