| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:07 UTC |
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| Update Date | 2025-03-25 00:51:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187917 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H27NO12 |
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| Molecular Mass | 425.1533 |
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| SMILES | CC(=O)NC1C(OC2CC(O)(C(=O)O)CC(O)C2O)OC(CO)C(O)C(O)C1O |
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| InChI Key | WRQZRRYZHDZYLH-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxepanesprimary alcoholssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundacetamidecyclohexanolhydroxy acidcarboxamide groupoxepaneoxacyclesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundquinic acid |
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