| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:14 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118220 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C14H13NO4 |
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| Molecular Mass | 259.0845 |
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| SMILES | O=C(O)CCC(=Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | HMAMFGDQXYUYNR-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 | amino fatty acidsazacyclic compoundsbenzenoidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesunsaturated fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty acidcarboxylic acid derivativeunsaturated fatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidazacycleheteroaromatic compoundamino fatty acidbranched fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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