| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:15 UTC |
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| Update Date | 2025-03-25 01:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H14O6 |
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| Molecular Mass | 338.079 |
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| SMILES | COc1ccc(C2CC(=O)c3c(c4ccccc4oc3=O)O2)cc1O |
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| InChI Key | YXYNCDFUBNAGHV-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 | coumarino-gamma-pyrones |
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| Direct Parent | coumarino-gamma-pyrones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersangular pyranocoumarinsanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivativesvinylogous esters |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercoumarino-gamma-pyroneangular pyranocoumarinketonelactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundpyranocoumarinbenzopyranvinylogous esterheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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