| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:12 UTC |
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| Update Date | 2025-03-21 17:57:36 UTC |
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| HMDB ID | HMDB0256914 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008953 |
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| Name | Pteroic acid |
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| Frequency | 593.6 |
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| Structure | |
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| Chemical Formula | C14H12N6O3 |
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| Molecular Mass | 312.0971 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccc(C(=O)O)cc3)cnc2[nH]1 |
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| InChI Key | JOAQINSXLLMRCV-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 derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidbenzoylpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzoic acidvinylogous amidepterinazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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