| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:13 UTC |
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| Update Date | 2025-03-21 18:05:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055553 |
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| Frequency | 57.6 |
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| Structure | |
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| Chemical Formula | C16H14O6 |
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| Molecular Mass | 302.079 |
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| SMILES | O=C(OC(Cc1ccc(O)cc1)C(=O)O)c1ccccc1O |
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| InChI Key | TWEDLAINHBKTQZ-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 benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivativesbenzoate ester1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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