| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:37 UTC |
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| Update Date | 2025-03-21 18:40:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128539 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | COC(=O)CCc1ccccc1C(=O)O |
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| InChI Key | MNTPADVVQJCTIF-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 compoundsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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