| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:02 UTC |
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| Update Date | 2025-03-21 18:41:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136432 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C10H12O4 |
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| Molecular Mass | 196.0736 |
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| SMILES | O=C(CO)CC(O)c1cccc(O)c1 |
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| InChI Key | GKRHBXUEVKUOKX-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 benzenoidsalpha-hydroxy ketonesaromatic alcoholsbenzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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