| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:34 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O12 |
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| Molecular Mass | 376.0642 |
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| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1 |
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| InChI Key | QAIQWFWSFCFADU-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-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanespyrogallols and derivativessecondary alcoholsp-hydroxybenzoic acid alkyl esters |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalm-hydroxybenzoic acid esterorganoheterocyclic compoundalcoholpyrogallol derivativebenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteroxepaneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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