| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:15 UTC |
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| Update Date | 2025-03-21 18:05:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055642 |
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| Frequency | 57.5 |
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| Structure | |
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| Chemical Formula | C13H13NO4 |
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| Molecular Mass | 247.0845 |
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| SMILES | O=C(O)CCCOC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | AIMDLTDMNIOUEF-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | indolecarboxylic acid derivativevinylogous amidecarbonyl groupcarboxylic acidazacyclepyrrole-3-carboxylic acid or derivativesindoleheteroaromatic compoundcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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