| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 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 | DMID02202510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O9 |
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| Molecular Mass | 314.0638 |
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| SMILES | O=C(O)c1ccc(O)c(OC2CC(O)C(O)C(C(=O)O)O2)c1 |
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| InChI Key | WPBBMUHOZQVNNO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | tannins |
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| Subclass | hydrolyzable tannins |
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| Direct Parent | hydrolyzable tannins |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideacetalbenzoic acidoxaneorganoheterocyclic compound1,2-diolhydrolyzable tanninalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidhydroxybenzoic acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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