| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:46 UTC |
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| Update Date | 2025-03-25 00:51:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189396 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO6 |
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| Molecular Mass | 325.1525 |
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| SMILES | CC(C)c1ccc(CCC(=O)O)n1CCC(O)CC(=O)C(=O)O |
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| InChI Key | ZGNVJCDIDICBFX-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsazacyclic compoundsbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidsubstituted pyrrolealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundamino fatty acidorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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