| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:32 UTC |
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| Update Date | 2025-03-25 00:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227791 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(=O)CC(=O)CC(O)c1ccc(O)cc1 |
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| InChI Key | PBBMPFNEQYSYNE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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