| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:25 UTC |
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| Update Date | 2025-03-21 18:37:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113788 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C7H6N4O2 |
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| Molecular Mass | 178.0491 |
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| SMILES | Nc1cnc2c(C(=O)O)c[nH]c2n1 |
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| InChI Key | PWIJWZYHFZSTEZ-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 | pyrrolopyrazines |
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| Subclass | pyrrolopyrazines |
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| Direct Parent | pyrrolopyrazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrazinespyrrole carboxylic acidsvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundimidolactampyrrolopyrazinevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinepyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundpyrrole-3-carboxylic acidamineorganooxygen compound |
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