| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:14 UTC |
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| Update Date | 2025-03-21 17:58:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013703 |
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| Frequency | 325.2 |
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| Structure | |
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| Chemical Formula | C15H16N6O4 |
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| Molecular Mass | 344.1233 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)O)cc1)N2C=O |
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| InChI Key | CQQLECJFFZOOBZ-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 acidsazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzoic acidvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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