| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO7 |
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| Molecular Mass | 269.0536 |
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| SMILES | O=C(O)CC(Nc1ccc(C(=O)O)c(O)c1)C(=O)O |
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| InChI Key | ZDVMWMWLEBJLPS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessalicylic acidssecondary alkylarylaminestricarboxylic acids and derivativesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativessalicylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic aminehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesaspartic acid or derivativesphenylalkylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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