| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:08:36 UTC |
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| Update Date | 2025-03-24 16:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00935072 |
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| Frequency | 1.5 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | COC(=O)CCCCC=O |
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| InChI Key | FDNFXHCDOASWAY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | medium-chain aldehydes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarboxylic acid derivativemedium-chain aldehydefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esteralpha-hydrogen aldehydecarboxylic acid esterhydrocarbon derivative |
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