| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150191 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO11 |
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| Molecular Mass | 355.1115 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OOC1C(O)C(O)C(O)CO |
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| InChI Key | DQQAHIGCJAHGJL-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 | dioxepanes |
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| Subclass | 1,2-dioxepanes |
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| Direct Parent | 1,2-dioxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl peroxideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxidedialkyl peroxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholacetamidealcoholhydroxy acidcarboxamide group1,2-dioxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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