| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:52:13 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | HMDB0132255 |
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| Metabolite Identification |
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| DeepMet ID | DMID00043858 |
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| Name | 3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid |
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| Frequency | 77.3 |
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| Structure | |
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| Chemical Formula | C15H14O10 |
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| Molecular Mass | 354.0587 |
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| SMILES | O=C(O)C1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O |
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| InChI Key | DVXWUICHFVSCGC-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 | coumarins and derivatives |
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| Subclass | coumarin glycosides |
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| Direct Parent | coumarin glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercoumarin-6-o-glycosidecarbonyl groupcarboxylic acidglucuronic acid or derivativescoumarin o-glycoside1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivatives7-hydroxycoumarinheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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