| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:27 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16NO8P |
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| Molecular Mass | 333.0614 |
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| SMILES | NC(CCC(=O)O)(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O |
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| InChI Key | YWJRLYDNIPXJNT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl phosphates |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativesphenyl phosphatearomatic homomonocyclic compoundorganic oxygen compoundphosphoric acid esterdicarboxylic acid or derivativeshydrocarbon derivativearyl phosphomonoesterbenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
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