| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:48 UTC |
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| Update Date | 2025-03-21 18:38:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121879 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C16H19NO7 |
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| Molecular Mass | 337.1162 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)OC1C(O)C(O)OC(CO)C1O |
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| InChI Key | PXRAQTJMCFMIBF-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estershemiacetalsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | carbonyl groupindolemonosaccharidecarboxylic acid derivativesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholalcoholazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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