| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:38 UTC |
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| Update Date | 2025-03-25 00:52:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191294 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO9 |
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| Molecular Mass | 411.1529 |
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| SMILES | CC(=O)NC1C(O)OC(CO)C(O)C1Oc1cc(CC2CCC(=O)O2)ccc1O |
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| InChI Key | DJKUJMRQSFVHLV-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 | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesacylaminosugarsalkyl aryl etherscarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativen-acyl-alpha-hexosaminesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholacetamidealcoholamino saccharidetetrahydrofurancarboxamide groupgamma butyrolactoneacylaminosugaroxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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