| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:09 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206149 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N4O4 |
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| Molecular Mass | 256.1172 |
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| SMILES | NC(=O)c1cc(N)n(C2CC(O)C(CO)O2)c1N |
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| InChI Key | RUBUSDFWHNCCBN-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 carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminesprimary carboxylic acid amidessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundamino acid or derivativesmonosaccharidesubstituted pyrrolecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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