| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:05 UTC |
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| Update Date | 2025-03-25 00:51:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N6O4 |
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| Molecular Mass | 328.092 |
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| SMILES | Nc1nc2nc(CNc3ccc(O)c(C(=O)O)c3)cnc2c(=O)[nH]1 |
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| InChI Key | HHXZNKPTYIDEIX-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrazinespyrimidonessalicylic acidssecondary alkylarylaminesvinylogous acids |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidpyrimidonesalicylic acidcarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidpterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminehydroxybenzoic acidvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativespyrazinephenylalkylaminephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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