| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:53 UTC |
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| Update Date | 2025-03-21 18:05:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054771 |
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| Frequency | 58.6 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | O=C(O)CC1Cc2cc(O)c(O)cc2N1 |
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| InChI Key | CPPTVJRQYUSJRR-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 benzenoidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindoleazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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