| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:19 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044125 |
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| Frequency | 76.8 |
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| Structure | |
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| Chemical Formula | C19H20N2O8 |
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| Molecular Mass | 404.122 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2ccc(O)cc2)C(O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | XDGLJDRWEUBBPY-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 benzenoidsaldiminesalpha amino acidsalpha hydroxy acids and derivativesamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaldiminesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundhydroxy acidsecondary amineorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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