| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:17 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199611 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N5O2 |
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| Molecular Mass | 287.1382 |
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| SMILES | NC(=NC(=O)Cc1c[nH]cn1)C(N)Cc1ccc(O)cc1 |
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| InChI Key | HBINHMIDBYVAQC-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyliminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | n-acyliminecarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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