| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181893 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO6 |
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| Molecular Mass | 229.0586 |
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| SMILES | O=C(NCC(O)C(O)C(=O)O)c1ccco1 |
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| InChI Key | LCGNGGOADVYNEF-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-heteroaryl carboxamidesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundgamma amino acid or derivativesalpha-hydroxy acidmonosaccharide2-heteroaryl carboxamidebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholfuroic acid or derivativesheteroaromatic compoundhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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