| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O4 |
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| Molecular Mass | 198.0641 |
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| SMILES | O=C(O)CC(O)C(=O)Cc1c[nH]cn1 |
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| InChI Key | MADNSQRGDOAXLZ-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 | acyloinsalpha-hydroxy ketonesamino fatty acidsazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidsfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundhydroxy acidamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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