| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO9P |
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| Molecular Mass | 363.0719 |
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| SMILES | NC(Cc1ccc(C2OC(O)C(COP(=O)(O)O)O2)cc1)C(=O)O |
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| InChI Key | LLRFNHZWVMJKBU-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetalsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietymeta-dioxolanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalorganoheterocyclic compoundamphetamine or derivativesoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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