| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:18 UTC |
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| Update Date | 2025-03-25 00:55:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213626 |
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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 | COC(=O)C1C(O)CC2=CCC1C2C(=O)O |
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| InChI Key | XWEQZPFIIZMPDN-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 | aliphatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidcyclic alcoholcarboxylic acid derivativealiphatic homopolycyclic compoundbeta-hydroxy acidorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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