| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:30 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181939 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5 |
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| Molecular Mass | 228.0746 |
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| SMILES | O=C(O)C(O)CCCc1c[nH]c(=O)[nH]c1=O |
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| InChI Key | MGGYQTNPODLOBW-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 | alpha hydroxy acids and derivativesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidpyrimidonecarboxylic acid derivativemedium-chain hydroxy acidpyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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