| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:36 UTC |
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| Update Date | 2025-03-21 18:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030378 |
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| Frequency | 122.4 |
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| Structure | |
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| Chemical Formula | C7H9NO3 |
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| Molecular Mass | 155.0582 |
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| SMILES | O=C(O)CNCc1ccco1 |
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| InChI Key | NDTZKVFBYRLVQG-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furansecondary aliphatic aminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheteroaromatic compoundsecondary amineoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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