| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:15 UTC |
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| Update Date | 2025-03-25 00:56:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O5 |
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| Molecular Mass | 212.0685 |
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| SMILES | CCC=CC(=O)CC(=CC(=O)O)C(=O)O |
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| InChI Key | LTTAORLCZOIJQQ-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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