| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:20 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | C=CC(=O)CC(O)c1ccc(O)c(C(=O)O)c1 |
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| InChI Key | NMARDOHSKGMWHB-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativesbeta-hydroxy ketonesenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidenonealcoholaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeacryloyl-grouporganooxygen compound |
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