| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:37 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157172 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=CC(=CC(O)C(O)CO)C(=O)O |
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| InChI Key | VHSKFKVDUGNKCQ-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 | aldehydesbranched fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholsunsaturated fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidaldehydecarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary alcoholorganooxygen compound |
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