Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:00 UTC |
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Update Date | 2025-03-21 18:35:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105440 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C14H17NO3 |
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Molecular Mass | 247.1208 |
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SMILES | COc1ccc2[nH]cc(CCCCC(=O)O)c2c1 |
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InChI Key | YCWOKORIWIURMP-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 ethersamino fatty acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidheterocyclic fatty acidindolefatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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