| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224449 |
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| Frequency | 0.5 |
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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)C(=O)CC(O)C=Cc1c[nH]c2ccccc12 |
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| InChI Key | MYXNSCGLYTYPAD-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 ketonesalpha-keto acids and derivativesamino fatty acidsazacyclic compoundsbenzenoidsbeta-hydroxy ketonescarboxylic acidsfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidindolealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidalcoholazacycleheteroaromatic compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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