| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:04 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO5 |
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| Molecular Mass | 261.0637 |
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| SMILES | NC(CC1=C(O)c2ccccc2C(=O)C1=O)C(=O)O |
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| InChI Key | ZLVMOGCYHQIPFG-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 | naphthoquinones |
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| Direct Parent | naphthoquinones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl ketonescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinonesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundalpha-amino acid or derivativescyclic ketonecarboxylic acid derivativeketonevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundnaphthoquinoneorganooxygen compoundaryl ketonequinone |
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