| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:38 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N3O9P |
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| Molecular Mass | 455.1094 |
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| SMILES | O=C(O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | QJEZGXMRCUGAMY-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 | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoramidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidsphosphate estersphosphoric monoester monoamidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidepyrimidonepyrimidinesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic phosphoric acid amideorganoheterocyclic compoundamphetamine or derivativesalcoholphosphoric monoester monoamidevinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compound |
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