| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:38 UTC |
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| Update Date | 2025-03-21 18:05:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054192 |
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| Frequency | 59.5 |
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| Structure | |
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| Chemical Formula | C12H13NO4 |
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| Molecular Mass | 235.0845 |
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| SMILES | COc1ccc2c(C(O)CC(=O)O)c[nH]c2c1 |
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| InChI Key | ZINGGAJRRODVCJ-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 ethersanisolesaromatic alcoholsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidindolealkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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