| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:11 UTC |
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| Update Date | 2025-03-21 18:28:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072161 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C27H46N2O22 |
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| Molecular Mass | 750.2542 |
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| SMILES | CC(=O)NC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)OC(C(O)C(O)CO)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O |
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| InChI Key | RFYLQFWVKJMSPQ-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundmeta-dioxaneorganooxygen compound |
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