| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:22 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO6 |
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| Molecular Mass | 277.0586 |
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| SMILES | NC(CC(=O)c1coc2cc(O)ccc2c1=O)C(=O)O |
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| InChI Key | WLMCRJZRQSHXCM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesbenzenoidscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxidechromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranonealpha-amino acidorganopnictogen compoundheteroaromatic compoundgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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