| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:23 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250287 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O14 |
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| Molecular Mass | 510.101 |
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| SMILES | O=C(OC1Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(O)c2CC1O)c1ccc(O)c(O)c1 |
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| InChI Key | NNHYSOMDIVKEMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsm-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyranp-hydroxybenzoic acid esterbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundchromaneoxanem-hydroxybenzoic acid esterorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteroxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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