| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177802 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO5 |
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| Molecular Mass | 185.0324 |
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| SMILES | N#CC(CC(=O)O)=C(O)CC(=O)O |
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| InChI Key | BARVGBCLLMZFKU-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidcarboxylic acid derivativeamino fatty acidbranched fatty acidmedium-chain hydroxy acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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