| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:06 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20NO8P |
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| Molecular Mass | 337.0927 |
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| SMILES | CCc1ccc(C=O)n1CC(O)C(O)C(O)COP(=O)(O)O |
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| InChI Key | ROPVXMOEKSXQRW-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 | monoalkyl phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydesubstituted pyrroleorganic oxidearyl-aldehydeorganic oxygen compoundmonoalkyl phosphatepyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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