| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:00 UTC |
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| Update Date | 2025-03-25 00:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240111 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO6 |
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| Molecular Mass | 243.0743 |
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| SMILES | O=C=C(CC=CC(O)CC(=O)O)NCC(=O)O |
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| InChI Key | FOALMWRCSCWGDF-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminehydroxy acidsecondary amineamino fatty acidorganic oxygen compoundynolatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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