| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O11 |
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| Molecular Mass | 386.0849 |
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| SMILES | O=c1cc(OC2OC(C(O)CO)C(O)C(O)C2O)oc2cc(O)cc(O)c12 |
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| InChI Key | JBTPTUOVMBGSFL-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzenoidschromonesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyranones and derivativessecondary alcoholsvinylogous acidsvinylogous esters |
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| Substituents | 1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneprimary alcoholorganoheterocyclic compoundalcoholbenzopyranvinylogous esterheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidcoumarinoxacyclevinylogous acidorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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