| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:54 UTC |
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| Update Date | 2025-03-21 18:39:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124393 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C18H22N2O7 |
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| Molecular Mass | 378.1427 |
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| SMILES | CC(=O)NC1C(OC(=O)Cc2c[nH]c3ccccc23)OC(CO)C(O)C1O |
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| InChI Key | IHKRFVBNFMKIST-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsacetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupindolemonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativescarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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