| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:45 UTC |
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| Update Date | 2025-03-21 18:40:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131249 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C13H13NO5 |
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| Molecular Mass | 263.0794 |
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| SMILES | O=C(O)CCc1c(CC(=O)O)[nH]c2ccc(O)cc12 |
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| InChI Key | BGFUYGNJNSZZDH-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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