| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:48 UTC |
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| Update Date | 2025-03-25 00:46:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4 |
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| Molecular Mass | 223.0845 |
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| SMILES | Cc1cccnc1C(=O)CC(O)CC(=O)O |
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| InChI Key | QEGUAINOIATOCE-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino fatty acidsaryl alkyl ketonesazacyclic compoundsbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidcarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acid2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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