| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:44 UTC |
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| Update Date | 2025-03-21 18:00:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026043 |
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| Frequency | 147.4 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | O=C(O)C(O)CCc1c[nH]c2ccccc12 |
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| InChI Key | BZXWBNJFWYSXQL-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 | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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