| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:44 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | O=C1CCC(Cc2cccc(O)c2)C1O |
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| InChI Key | JNNCFPQGRBMJFB-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyclic alcohols and derivativescyclic ketonescyclopentanolshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidcyclic alcoholcyclopentanolketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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