| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:20 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190643 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | C=CC(=O)Cc1cccc(C(=O)O)c1C |
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| InChI Key | ZHODSYKKOMOWSB-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacryloyl compoundsbenzoyl derivativesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidestoluenes |
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| Substituents | carbonyl groupcarboxylic acidbenzoylalpha,beta-unsaturated ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-group1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compoundenone |
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