| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:06 UTC |
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| Update Date | 2025-03-21 18:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031582 |
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| Frequency | 116.5 |
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| Structure | |
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| Chemical Formula | C12H21NO9 |
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| Molecular Mass | 323.1216 |
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| SMILES | CC(=O)NC1C(O)CCC(O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | ZCUMFCVJIFFOTI-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalprimary alcoholacetamidealcoholhydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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