| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:21 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15N5O4 |
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| Molecular Mass | 341.1124 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)c2cnc3nc(N)[nH]c(=O)c3n2)cc1 |
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| InChI Key | HNDRNISQVJWTLZ-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 acidsaromatic alcoholsaromatic monoterpenoidsazacyclic compoundsbenzene and substituted derivativesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminespyrazinespyrimidonessecondary alcohols |
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| Substituents | aromatic alcoholmonoterpenoidmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidonep-cymenecarboxylic acid derivativepyrimidineorganic oxide2-phenylpropanoic-acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholpterinazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebicyclic monoterpenoidbenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundaromatic monoterpenoid |
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