| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:20 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21O12P |
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| Molecular Mass | 436.0771 |
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| SMILES | COc1cc(C=CC(=O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O)ccc1O |
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| InChI Key | TURQUVMLFGTWLM-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-hydroxy-2-unsubstituted benzenoidsacyl phosphatesalkyl aryl ethersanisolescarbonyl compoundshemiacetalshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholmethoxybenzenehydroxycinnamic acidoxacyclemonocarboxylic acid or derivativesphosphoric acid esteranisolemonoalkyl phosphatesecondary alcoholhexose phosphatephenolhydrocarbon derivativebenzenoidphenoxy compoundorganic phosphoric acid derivativealkyl phosphateacyl phosphate |
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