| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:45 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O5 |
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| Molecular Mass | 230.1154 |
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| SMILES | COC(=O)C(OC(=O)C(C)C)C(=O)C(C)C |
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| InChI Key | LUYTYLCFOUUIDK-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 | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha-acyloxy ketonesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesketonesmethyl estersorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-acyloxy ketonecarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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