| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:04 UTC |
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| Update Date | 2025-03-25 00:58:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228925 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO12 |
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| Molecular Mass | 423.1377 |
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| SMILES | CC(=O)NC1C(O)CC(OC2CC(CO)C(O)C(O)C2O)(C(=O)O)OC1C(=O)O |
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| InChI Key | LRIFGRBZJOEZIV-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesketalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholacetamidealcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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