| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:16 UTC |
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| Update Date | 2025-03-21 18:05:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055665 |
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| Frequency | 57.5 |
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| Structure | |
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| Chemical Formula | C17H12O5 |
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| Molecular Mass | 296.0685 |
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| SMILES | COc1ccc2c(c1)oc(=O)c1c3ccc(OC)cc3oc21 |
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| InChI Key | PXHLPCBBXPHBHP-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 | isoflavonoids |
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| Subclass | coumestans |
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| Direct Parent | coumestans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl ethersangular furanocoumarinsanisolesbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | furanphenol etherether1-benzopyranalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundfuranocoumarinbenzopyranbenzofuranheteroaromatic compoundfuropyrancoumarinangular furanocoumarinoxacycleorganic oxygen compoundpyrananisolecoumestanhydrocarbon derivativebenzenoidorganooxygen compound |
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