| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:31 UTC |
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| Update Date | 2025-03-25 01:01:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | O=C1CCC(CNCc2ccc(O)c(O)c2)O1 |
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| InChI Key | SKNILHMTWGUHRP-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidlactoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesorganoheterocyclic compoundsecondary aliphatic aminetetrahydrofuran1-hydroxy-4-unsubstituted benzenoidsecondary aminegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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