| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:27:09 UTC |
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| Update Date | 2025-03-24 20:19:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01412205 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H10O3 |
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| Molecular Mass | 130.063 |
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| SMILES | CC=CC(OC)C(=O)O |
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| InChI Key | IFBWDYSTWUMCOO-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 | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupethercarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty aciddialkyl etherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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