| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:06 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162651 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N4O2 |
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| Molecular Mass | 272.1273 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(N)c(C(N)=O)c1C |
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| InChI Key | IVACPHSCVXJLAM-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 compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidespyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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