| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:00 UTC |
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| Update Date | 2025-03-25 00:47:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO3 |
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| Molecular Mass | 193.0739 |
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| SMILES | CC1(C(=O)O)Nc2ccccc2C1O |
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| InChI Key | HKIDYAPQBOCJME-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindolealcoholazacyclehydroxy acidsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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