| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:54 UTC |
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| Update Date | 2025-03-21 18:40:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131580 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C9H9NO3 |
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| Molecular Mass | 179.0582 |
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| SMILES | CC(=O)OC(=O)c1ccc(N)cc1 |
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| InChI Key | BVFPLZMUHAXQFF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoic acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary amines |
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| Substituents | benzyloxycarbonylcarbonyl groupamino acid or derivativesbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundcarboxylic acid anhydridedicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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