| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:52 UTC |
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| Update Date | 2025-03-21 18:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026370 |
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| Frequency | 145.3 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | CC(=O)Oc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | PALBHIQJXKCCQX-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenoxy compoundssalicylic acidsvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterphenol esterdicarboxylic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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