| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:01 UTC |
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| Update Date | 2025-03-21 18:34:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100519 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | COc1ccc2[nH]cc(C(=O)CC(=O)O)c2c1 |
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| InChI Key | XZISFKMYMUEONE-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 | alkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | beta-hydroxy ketonephenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneindolealkyl aryl ethercarboxylic acid derivativebeta-keto acidketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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