| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 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 | DMID02156793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O10 |
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| Molecular Mass | 330.0587 |
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| SMILES | O=C(OC1CC(O)C(O)C(C(=O)O)O1)c1c(O)cc(O)cc1O |
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| InChI Key | MYMBSTIUILDZMV-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphloroglucinols and derivativespyran carboxylic acidssalicylic acid and derivativessecondary alcoholsvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidphloroglucinol derivativebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesbenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteroxacyclevinylogous acidorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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