| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:05 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203737 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O3 |
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| Molecular Mass | 274.1317 |
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| SMILES | O=C(O)CCCCC1=NC(O)=NC1Cc1ccccc1 |
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| InChI Key | IABRCSBTBSKQLH-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 compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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