| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:18 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4 |
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| Molecular Mass | 246.0892 |
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| SMILES | CCC1=C(O)C(Cc2cccc(O)c2)C(=O)C1=O |
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| InChI Key | LOBAMDVAEQCBQJ-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 ketoneshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidketonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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