| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:55 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157825 |
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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 | O=C(O)CCCC(=Cc1ccc[nH]1)C(=O)O |
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| InChI Key | UNAVDEBSESOKGM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesunsaturated fatty acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheterocyclic fatty acidheteroaromatic compoundcarboxylic acid derivativeamino fatty acidbranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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