| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:21 UTC |
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| Update Date | 2025-03-21 18:41:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134860 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | Cc1ccc(CC2CCC(=O)O2)cc1C |
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| InChI Key | GWUPWCFSCZGSNK-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 | xylenes |
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| Direct Parent | o-xylenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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