| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:44:05 UTC |
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| Update Date | 2025-03-21 17:59:59 UTC |
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| HMDB ID | HMDB0059722 |
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| Metabolite Identification |
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| DeepMet ID | DMID00024485 |
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| Name | Mono-methyl-adipate |
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| Frequency | 159.2 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | COC(=O)CCCCC(=O)O |
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| InChI Key | UOBSVARXACCLLH-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmedium-chain fatty acidsmethyl estersorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidfatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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