| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:06 UTC |
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| Update Date | 2025-03-21 18:34:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100750 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C20H34N2O16 |
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| Molecular Mass | 558.1908 |
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| SMILES | CC(=O)NC1C(O)CC(OC2(C(=O)O)OC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)OC1C(O)C(O)CO |
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| InChI Key | TWNTYZCFGZMQHN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | orthocarboxylic acid derivatives |
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| Subclass | carboxylic acid orthoesters |
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| Direct Parent | carboxylic acid orthoesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetalsacetamidescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidortho estercarboxylic acid orthoestercarboxylic acid derivativeorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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