| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:19 UTC |
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| Update Date | 2025-03-21 18:29:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077334 |
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| Frequency | 38.0 |
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| Structure | |
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| Chemical Formula | C10H13O7P |
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| Molecular Mass | 276.0399 |
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| SMILES | COc1cc(CCC(=O)O)ccc1OP(=O)(O)O |
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| InChI Key | TYDMMZTYIOGFOY-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenyl phosphates |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherphenyl phosphatecarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid esteranisolehydrocarbon derivativearyl phosphomonoesterbenzenoidphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
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