| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:30 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223346 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5 |
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| Molecular Mass | 275.0794 |
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| SMILES | NC(Cc1c(O)ccc2cc3c(cc12)OCO3)C(=O)O |
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| InChI Key | UORXPVMXTVMJCI-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalpha amino acidsbenzodioxolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound2-naphtholorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
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