| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:47 UTC |
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| Update Date | 2025-03-21 18:06:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066392 |
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| Frequency | 46.0 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | O=C(O)OC(=O)CCC(O)Cc1ccccc1 |
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| InChI Key | IJKGNUMQJTWRQD-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 | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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