| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:29 UTC |
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| Update Date | 2025-03-21 17:57:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004983 |
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| Frequency | 1096.7 |
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| Structure | |
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| Chemical Formula | C5H10O3 |
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| Molecular Mass | 118.063 |
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| SMILES | COC(=O)C(C)CO |
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| InChI Key | ATCCIZURPPEVIZ-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary alcoholorganooxygen compound |
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