| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:27 UTC |
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| Update Date | 2025-03-21 18:06:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065605 |
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| Frequency | 46.6 |
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| Structure | |
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| Chemical Formula | C13H13NO3 |
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| Molecular Mass | 231.0895 |
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| SMILES | O=C(O)CCC(=O)Cc1c[nH]c2ccccc12 |
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| InChI Key | DMJVYJCOHJTEDC-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 compoundsbenzenoidscarboxylic acidsfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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