| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:24 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23O10P |
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| Molecular Mass | 418.1029 |
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| SMILES | O=C1CCC(Cc2cccc(C3OC(COP(=O)(O)O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | PCLXSDMRDPEUBI-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundcarboxylic acid derivativedialkyl etherlactoneorganic oxideoxaneorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatecarboxylic acid estersecondary alcoholhexose phosphatehydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphate |
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