| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:51 UTC |
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| Update Date | 2025-03-21 18:06:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061862 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C18H20N2O6 |
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| Molecular Mass | 360.1321 |
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| SMILES | CC(Cc1ccc(O)c(O)c1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | XKROUQRQCOLLJR-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidimine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylpropanealdimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidsecondary amineorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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