| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:11 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O5 |
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| Molecular Mass | 256.1311 |
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| SMILES | O=C(O)CC1CCC(C2CCC(CC(=O)O)O2)C1 |
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| InChI Key | NRIIKBHXJOCSEN-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidtetrahydrofurandialkyl etheroxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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