| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:46 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171067 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO6 |
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| Molecular Mass | 241.0586 |
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| SMILES | COC(=O)C(CC(=O)O)NC(=O)c1ccco1 |
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| InChI Key | ITEOPLYNHADJSX-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 heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmethyl estersn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compound2-heteroaryl carboxamideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesfuroic acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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