| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:22 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | O=C(CO)CC(O)Cc1cc(O)cc(O)c1 |
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| InChI Key | RGCPDRLRDJSPMS-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesbenzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesresorcinolssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha-hydroxy ketoneresorcinolketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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