| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:49 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012770 |
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| Frequency | 354.2 |
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| Structure | |
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| Chemical Formula | C9H11O8P |
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| Molecular Mass | 278.0192 |
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| SMILES | O=C(O)C(Cc1ccc(O)c(O)c1)OP(=O)(O)O |
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| InChI Key | KBTNKHNBBLUQTL-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatephenolhydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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