| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:17 UTC |
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| Update Date | 2025-03-21 18:41:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132478 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C12H14O8 |
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| Molecular Mass | 286.0689 |
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| SMILES | O=C(O)C(CO)OC(Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | NPAUCLCDKKTICR-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 derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcoholssugar acids and derivatives |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundglyceric_aciddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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