| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:49 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210067 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24N2O6 |
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| Molecular Mass | 388.1634 |
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| SMILES | CC(O)C(O)C(Cc1ccccc1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | VWJMSTZESPIWTD-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 | 1,2-diolsaldiminesalpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminealpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivatives1,2-diolalcoholsecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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