| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:40 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O5 |
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| Molecular Mass | 254.0903 |
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| SMILES | O=C(O)CCNC(=O)c1c[nH]cc1CCC(=O)O |
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| InChI Key | WMIUTKIVRVUCJB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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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 compoundspyrrole carboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyrrole-3-carboxylic acid or derivativesheteroaromatic compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundpyrrole-3-carboxamidedicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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