| 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 | DMID02156787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O9 |
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| Molecular Mass | 342.0951 |
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| SMILES | O=C(OC1C(O)CC(O)(C(=O)O)CC(O)C1O)c1ccc(O)cc1 |
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| InChI Key | PWLAJQOLFLCLQJ-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 benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidealcoholhydroxy acidcyclic alcoholp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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