| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:29 UTC |
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| Update Date | 2025-03-21 17:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016449 |
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| Frequency | 259.7 |
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| Structure | |
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| Chemical Formula | C10H12O3 |
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| Molecular Mass | 180.0786 |
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| SMILES | Cc1cccc(CCC(=O)O)c1O |
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| InChI Key | CEACKEBHGPVLBR-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-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivativebenzenoidtolueneorganooxygen compound |
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