| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | O=C(O)C(=O)CCCc1ccccn1 |
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| InChI Key | SPCFJFYHZCTNRH-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsazacyclic compoundscarboxylic acidsfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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