| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:48 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29NO10 |
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| Molecular Mass | 455.1791 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1OC(C(O)CO)C(O)C(O)C1NC(C)=O |
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| InChI Key | LQGRQIYRHINJAJ-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalkyl aryl ethersalkyl glycosidesanisolescarbonyl compoundscarboxylic acid estersfatty acyl glycosides of mono- and disaccharidesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativen-acyl-alpha-hexosaminelactoneorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholtetrahydrofurancarboxamide groupmethoxybenzenegamma butyrolactoneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl glycoside |
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