| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:55 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057236 |
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| Frequency | 55.5 |
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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)c1cc(C(=O)O)ccc1O |
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| InChI Key | JDUYMWSYTIJMJO-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-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesmethyl estersorganic oxidesorganooxygen compoundssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativeorganic oxidemethyl estermeta_phthalic_acidbenzoic acidmeta-phthalic acid esterhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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