| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:55 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237645 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO4 |
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| Molecular Mass | 243.0532 |
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| SMILES | O=C1C2=C(NC(C(=O)O)C2)C(=O)c2ccccc21 |
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| InChI Key | GTGXJTKEIDHWJB-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl ketonesazacyclic compoundscarboxylic acidsdialkylamineshydrocarbon derivativesindolequinonesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolinesquinonesvinylogous amides |
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| Substituents | carbonyl groupindolequinonecarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic amineazacycleindole or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinehydrocarbon derivativeorganic nitrogen compoundnaphthoquinoneorganooxygen compoundaminearyl ketonequinone |
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