| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:07 UTC |
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| Update Date | 2025-03-21 18:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034000 |
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| Frequency | 106.2 |
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| Structure | |
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| Chemical Formula | C17H22N2O5 |
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| Molecular Mass | 334.1529 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | JJMAYZLFLAPWJH-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 derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidepyrrole-2-carboxylic acidorganic oxygen compoundpyrrolineorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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