| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:28 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O2 |
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| Molecular Mass | 206.1055 |
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| SMILES | O=C1CCC(CNCc2cccnc2)O1 |
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| InChI Key | DHDJFSYAGZPYCG-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyridines and derivativestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundlactoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundsecondary aminegamma butyrolactoneoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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