| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:44 UTC |
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| Update Date | 2025-03-25 00:49:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O2 |
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| Molecular Mass | 194.1307 |
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| SMILES | CCC(O)(CC)C(O)c1ccccc1 |
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| InChI Key | OIYRCGDNJQEJFR-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 | 1,2-diolsaromatic alcoholshydrocarbon derivativessecondary alcoholstertiary alcohols |
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| Substituents | aromatic alcoholalcoholaromatic homomonocyclic compoundmonocyclic benzene moietytertiary alcoholorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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