| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:29 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N7O4 |
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| Molecular Mass | 371.1342 |
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| SMILES | NC(=O)COC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | JRMNCJYEHAQVRX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminesprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amideketiminemonocyclic benzene moietycarbonyl groupamino acid or derivativesiminebenzoylpyrimidonebenzoate estercarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativesorganic 1,3-dipolar compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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