| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO8P |
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| Molecular Mass | 321.0614 |
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| SMILES | Cc1ccc(C(=O)O)n1C1CC(O)C(COP(=O)(O)O)O1 |
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| InChI Key | IFKACXFKUQWHHX-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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpentose phosphatesubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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