| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:52 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO7 |
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| Molecular Mass | 353.1475 |
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| SMILES | O=C1CCC(Cc2ccc(NCC3(O)OC(CO)C(O)C3O)cc2)O1 |
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| InChI Key | VMNSHGWNTJVHQB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuransecondary aminegamma butyrolactonesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidorganooxygen compound |
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