| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:23 UTC |
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| Update Date | 2025-03-21 18:07:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067872 |
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| Frequency | 44.7 |
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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)c1cccc(C(=O)O)c1O |
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| InChI Key | MBMIMBPSXVDDRT-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-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesm-phthalic acid and derivativesmethyl estersorganic oxidesorganooxygen compoundssalicylic acidsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carboxylic acidbenzoylbenzoate estersalicylic acidcarboxylic acid derivativeorganic oxidemethyl estermeta_phthalic_acid1-carboxy-2-haloaromatic compoundbenzoic acidmeta-phthalic acid ester1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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