| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:38:34 UTC |
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| Update Date | 2025-03-21 17:58:05 UTC |
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| HMDB ID | HMDB0059765 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012172 |
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| Name | 3-Indolehydracrylic acid |
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| Frequency | 375.0 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | O=C(O)CC(O)c1c[nH]c2ccccc12 |
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| InChI Key | HWRVAGPWLQXABS-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 | aromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidindolecarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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