| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:22 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183881 |
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| Frequency | 0.5 |
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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 | O=C1CCCC(O)(Cc2ccccc2)C1 |
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| InChI Key | CWCVFXYEGIPSDA-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | cyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcyclic ketonecyclic alcoholketonearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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