| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:17 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238481 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO4 |
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| Molecular Mass | 219.0532 |
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| SMILES | O=C(O)C(O)C(=O)c1cc2ccccc2[nH]1 |
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| InChI Key | QNCDEQFCWNKCGN-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesaryl alkyl ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaryl alkyl ketoneindolealpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaryl ketone |
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