Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:49:51 UTC |
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Update Date | 2025-03-25 00:50:01 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02178205 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C13H15N5O3 |
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Molecular Mass | 289.1175 |
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SMILES | Cn1c(=O)[nH]c(N)c(NCc2ccc(C(N)=O)cc2)c1=O |
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InChI Key | AJFGTPOJWSCTGB-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 | benzamides |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidespyrimidonessecondary alkylarylaminesvinylogous amides |
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Substituents | primary carboxylic acid amidelactamaromatic heteromonocyclic compoundamino acid or derivativesbenzoylpyrimidonecarboxylic acid derivativebenzamidepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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