| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:15 UTC |
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| Update Date | 2025-03-21 18:06:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062735 |
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| Frequency | 49.4 |
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| Structure | |
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| Chemical Formula | C20H22N4O3 |
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| Molecular Mass | 366.1692 |
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| SMILES | NC(=NC(Cc1c[nH]c2ccccc12)C(=O)O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | XACIQGBKFUAHLH-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamidinesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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