| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:58 UTC |
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| Update Date | 2025-03-21 18:28:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071644 |
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| Frequency | 41.8 |
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| Structure | |
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| Chemical Formula | C9H11NO5 |
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| Molecular Mass | 213.0637 |
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| SMILES | O=C(O)CN=C(O)CC(O)c1ccco1 |
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| InChI Key | GWBUEJCGQFHMAT-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboximidic acidscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aromatic alcoholfurancarboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholheteroaromatic compoundorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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