| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19O9P |
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| Molecular Mass | 362.0767 |
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| SMILES | O=C(O)CCc1cccc(C2OC(COP(=O)(O)O)C(O)C2O)c1 |
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| InChI Key | BBPQMAYEUBGEST-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenylpropanoic acidssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpentose phosphatepentose-5-phosphatecarboxylic acid derivativedialkyl etherorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphate |
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