| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:40 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18O9 |
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| Molecular Mass | 402.0951 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2ccccc23)C(CO)C(O)C1O |
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| InChI Key | UOQOGAULKLYTNO-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 | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyranmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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