| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:40 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150373 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O8 |
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| Molecular Mass | 260.0532 |
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| SMILES | O=C(O)C=CC(=O)CC(O)(CCC(=O)O)C(=O)O |
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| InChI Key | NJLAOSCCWFSEII-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsenonesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidalpha,beta-unsaturated ketonegamma-keto acidketonetertiary alcoholorganic oxideorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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