| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:04 UTC |
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| Update Date | 2025-03-25 00:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199117 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]ccc1C(N)=O |
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| InChI Key | NUTAVGIZHFXBAT-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidecarbonyl grouplactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolineorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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