| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:12 UTC |
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| Update Date | 2025-03-21 18:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031820 |
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| Frequency | 115.3 |
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| Structure | |
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| Chemical Formula | C17H19NO7 |
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| Molecular Mass | 349.1162 |
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| SMILES | O=C(Cc1c[nH]c2ccccc12)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | OBVOVKGUKOUASG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-hydroxy acidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcyclohexanolindole or derivativeshydroxy acidtertiary alcoholcarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundquinic acid |
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