| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:49:46 UTC |
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| Update Date | 2025-03-24 14:04:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00746113 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | CC(=O)OC(C)=CC(=O)O |
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| InChI Key | HCLFMVCNVNMUQD-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 acidsdicarboxylic acids and derivativesenol estershydrocarbon derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeenol esterorganooxygen compound |
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