| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:21 UTC |
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| Update Date | 2025-03-25 00:48:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165540 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | CCC(=O)OCC1OC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc23)C(O)C(O)C1O |
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| InChI Key | PSGKTRTWPSXGLU-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonesaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundisocoumarincoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrancarboxylic acid ester2-benzopyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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