| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:05 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO9 |
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| Molecular Mass | 355.0903 |
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| SMILES | O=C(O)CN=C(O)CCC(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | QICLFSNIEOMORE-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 benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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