| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:35 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202562 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | O=C(OC1CC(=O)C(O)C(O)C1O)c1ccccc1O |
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| InChI Key | MJKKKPAHIZFVKR-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid esterscyclic ketonescyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessalicylic acid and derivativessecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeketoneorganic oxidealcoholcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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