| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11O6P |
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| Molecular Mass | 246.0293 |
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| SMILES | O=C(O)C(O)Cc1cccc(P(=O)(O)O)c1 |
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| InChI Key | XCUBNIFYLOFBPH-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 hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganophosphorus compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganopnictogen compoundorganophosphorus compoundhydrocarbon derivativebenzenoidorganophosphonic acid derivativeorganooxygen compound |
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