| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:54 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178334 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O3 |
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| Molecular Mass | 184.0848 |
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| SMILES | COC(=O)CC(O)Cc1c[nH]cn1 |
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| InChI Key | OCMNORIYONWSHB-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsfatty acid methyl estersheteroaromatic compoundshydrocarbon derivativesimidazolesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidemethyl esterimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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