| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:50 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219451 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H20O9 |
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| Molecular Mass | 452.1107 |
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| SMILES | COc1cc(C2Oc3c(c(=O)oc4c5c(cc(OC)c34)OC3OC=CC53)CC2O)ccc1O |
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| InChI Key | WZUWQYBQMFNMCS-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 | pyranocoumarins |
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| Direct Parent | angular pyranocoumarins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersangular furanocoumarinsanisolescoumaransdihydrofuransheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivativessecondary alcoholsvinylogous esters |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherangular pyranocoumarinlactoneorganic oxideacetalaromatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundcoumarandihydrofuranalcoholfuranocoumarinbenzopyranvinylogous esterheteroaromatic compoundmethoxybenzeneangular furanocoumarinoxacycleorganic oxygen compoundpyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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