| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO5 |
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| Molecular Mass | 235.0481 |
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| SMILES | N#Cc1ccc(O)c(C(CC(=O)O)C(=O)O)c1 |
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| InChI Key | ZLBOWBJBSJQZFO-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 benzenoidsbenzonitrilescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebenzonitrilearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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