| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O10 |
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| Molecular Mass | 342.0587 |
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| SMILES | O=C(OC1C(=O)CC(O)(C(=O)O)CC1O)c1c(O)cc(O)cc1O |
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| InChI Key | KOFOXYDIWSOZPR-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativescarboxylic acid esterscarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphloroglucinols and derivativessalicylic acid and derivativessecondary alcoholstertiary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeketonephloroglucinol derivativeorganic oxidealcoholbenzenetriolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundvinylogous acidtertiary alcoholorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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