Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:16 UTC |
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Update Date | 2025-03-21 18:35:02 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103652 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C20H23N7O7 |
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Molecular Mass | 473.1659 |
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SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(O)C(=O)O)C(=O)O)cc1)=N2 |
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InChI Key | IBLRQUHKWBQIHX-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | benzenoids |
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Class | benzene and substituted derivatives |
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Subclass | benzoic acids and derivatives |
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Direct Parent | hippuric acids and derivatives |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsketiminesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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Substituents | carboxylic acidamino acid or derivativesbenzoylmonosaccharidealpha-amino acid or derivativespteridinemedium-chain hydroxy acidsaccharideorganonitrogen compoundalpha-amino acidhydroxy fatty acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholvinylogous amidepterinazacyclen-acyl-alpha-amino acidheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aliphatic/aromatic aminesecondary carboxylic acid amidedicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminefatty acylketiminecarbonyl groupamino acidheterocyclic fatty acidiminealpha-hydroxy acidfatty acidpyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundmedium-chain fatty acidhippuric acid or derivativeshydroxy acidsecondary aminecarboxamide groupamino fatty acidorganic oxygen compoundsecondary alcoholphenylalkylamineorganic nitrogen compoundorganooxygen compound |
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