| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | O=C(O)CC(O)COC(=O)CCc1ccccc1 |
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| InChI Key | AWAZRXFSTXPYNV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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