| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:59 UTC |
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| Update Date | 2025-03-21 18:41:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136324 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C18H22N2O10 |
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| Molecular Mass | 426.1274 |
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| SMILES | CC(=O)NCCC(=O)c1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1NC=O |
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| InChI Key | DARDWUZAPFBOGQ-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalkyl-phenylketonesanilidesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronidemonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholvinylogous amidepyran carboxylic acid or derivativeshydroxy acidcarboxamide groupphenylketoneanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketonearyl ketone |
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