| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:03 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148882 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25O13P |
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| Molecular Mass | 492.1033 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1C(C(=O)O)OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | WEMOGOWVACOBFV-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 | 1,2-diolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonoalkyl phosphatesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativepyran carboxylic aciddialkyl etherlactoneorganic oxideoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclephosphoric acid esterpyrananisolemonoalkyl phosphatecarboxylic acid estersecondary alcoholhexose phosphatedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganic phosphoric acid derivativealkyl phosphate |
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