| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:33 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O5 |
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| Molecular Mass | 240.0746 |
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| SMILES | NC(=O)Cc1c(CCC(=O)O)c[nH]c1C(=O)O |
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| InChI Key | PLLJYWFYISLQIV-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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