| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:17 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206467 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N4O7 |
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| Molecular Mass | 358.1488 |
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| SMILES | NC(CCCNCC1(O)CC(O)C(n2ccc(=O)[nH]c2=O)O1)C(=O)O |
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| InChI Key | JOYMBVFOGLANOZ-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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