| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181730 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22O15 |
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| Molecular Mass | 430.0959 |
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| SMILES | O=C(O)C1(O)CC(C(O)CO)OC(OCC2OC(O)C(O)C(O)C2O)(C(=O)O)O1 |
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| InChI Key | DSHKSAKIIWOZJZ-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-dioxanesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesortho estersoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidortho esteralpha-hydroxy acidmonosaccharidecarboxylic acid orthoestercarboxylic acid derivativesaccharideorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholhydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemeta-dioxaneorganooxygen compound |
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