| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O5 |
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| Molecular Mass | 256.1059 |
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| SMILES | Cn1cncc1CC(O)(CCC(=O)O)CC(=O)O |
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| InChI Key | UMRGSDZIPNVTEY-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 | amino fatty acidsazacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolesmedium-chain fatty acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundamino fatty acidbranched fatty acidtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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