| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:28 UTC |
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| Update Date | 2025-03-21 18:07:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068030 |
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| Frequency | 44.6 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | CC(=O)NCCCNC(=O)c1cc(O)ccc1O |
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| InChI Key | HQRLLBNKBWMSDM-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 benzenoidsacetamidesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarboxamide groupsalicylamidehydroquinonearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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