| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:05 UTC |
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| Update Date | 2025-03-21 18:31:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088587 |
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| Frequency | 42.6 |
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| Structure | |
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| Chemical Formula | C11H14N2O |
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| Molecular Mass | 190.1106 |
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| SMILES | O=C1NCCNC1Cc1ccccc1 |
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| InChI Key | XEJMAPBQIWVIRL-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 | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspiperazinessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundorganic oxidepiperazineorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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