| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:45 UTC |
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| Update Date | 2025-03-21 17:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007878 |
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| Frequency | 630.5 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | CC(=O)Oc1cccc(C(=O)O)c1 |
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| InChI Key | NGMYCWFGNSXLMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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