| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H16O10 |
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| Molecular Mass | 404.0743 |
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| SMILES | O=C(O)C1OC(O)(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)CC(O)C1O |
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| InChI Key | JCSMWXAMARMBNF-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 | 1,2-diols1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorthocarboxylic acid derivativesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundpyranoneorthocarboxylic acid derivativeoxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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