| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:14 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CC(=O)CC(O)C(CO)Cc1ccccc1 |
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| InChI Key | PBPWWOGYIJZVOL-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 | benzene and substituted derivativesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonemonocyclic benzene moietycarbonyl groupketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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