| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:15 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149383 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5 |
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| Molecular Mass | 200.0685 |
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| SMILES | CC=CC(=O)OC(CC(C)=O)C(=O)O |
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| InChI Key | IYMNODZTDRKETQ-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesketonesorganic oxidesshort-chain keto acids and derivatives |
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| Substituents | enoate esterfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativegamma-keto acidketonealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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