| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:21 UTC |
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| Update Date | 2025-03-21 17:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020542 |
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| Frequency | 196.9 |
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| Structure | |
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| Chemical Formula | C11H13O6P |
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| Molecular Mass | 272.045 |
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| SMILES | O=C1CCC(Cc2cccc(OP(=O)(O)O)c2)O1 |
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| InChI Key | RWVVQKZJKKKVMQ-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 | organic phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | phenyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranphenyl phosphatecarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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