| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:34 UTC |
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| Update Date | 2025-03-21 18:32:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092156 |
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| Frequency | 30.4 |
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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)c(C)c1 |
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| InChI Key | ZRFUVPDWWRTKSP-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 | m-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 compoundtetrahydrofuranm-xylenecarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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