| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO8P |
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| Molecular Mass | 335.077 |
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| SMILES | O=Cc1ccc(CO)n1CCC(O)CCC(=O)OP(=O)(O)O |
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| InChI Key | LVUCTAWESGBLFV-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 | acyl monophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholcarbonyl grouparomatic heteromonocyclic compoundsubstituted pyrrolecarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleacyl monophosphateheteroaromatic compoundaldehydemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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