| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:12 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | CC(=O)NCCCNCc1ccc(O)cc1O |
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| InChI Key | UJKLVGRCCUASAT-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesamino acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupamino acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminecarboxamide groupcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundamine |
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