| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:59 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038520 |
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| Frequency | 90.8 |
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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 | COC(=O)c1ccc(O)c(C(=O)O)c1 |
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| InChI Key | LIQLYTSJSBMCAH-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-phthalate 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 derivativesdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesmethyl estersorganic oxidesorganooxygen compoundssalicylic acidsvinylogous acidsp-hydroxybenzoic acid alkyl esters |
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| Substituents | carboxylic acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxidemethyl estermeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidmeta-phthalic acid esterp-hydroxybenzoic acid alkyl esterhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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