| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:20 UTC |
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| Update Date | 2025-03-21 17:59:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022770 |
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| Frequency | 173.7 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | CC(=O)C=C(CC(=O)O)C(=O)O |
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| InChI Key | ZZPBDDNFTORDLO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesenoneshydrocarbon derivativesketonesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidacryloyl-grouporganooxygen compoundenone |
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