| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:42 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225949 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3 |
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| Molecular Mass | 251.127 |
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| SMILES | CC(=O)NCCCNC(=O)c1cc(N)ccc1O |
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| InChI Key | UDJJZAGGQYBIPM-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 | benzoic acids and derivatives |
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| Direct Parent | salicylamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesamino acids and derivativesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarboxamide groupsalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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