| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:54 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | O=C(CCn1ccnc1)CC(O)C(=O)O |
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| InChI Key | BBLPDHWDIAGGKH-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 acids and derivativesamino fatty acidsazacyclic compoundsbeta-hydroxy ketonescarboxylic acidsfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acidcarboxylic acid derivativeketoneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundhydroxy acidamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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