| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:39 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | HMDB0033588 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016770 |
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| Name | 9-O-Methylcoumestrol |
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| Frequency | 253.8 |
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| Structure | |
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| Chemical Formula | C16H10O5 |
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| Molecular Mass | 282.0528 |
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| SMILES | COc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21 |
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| InChI Key | HHEZPZWGHDOWCQ-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-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersangular furanocoumarinsanisolesbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | furanphenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundfuranocoumarinbenzopyranbenzofuranheteroaromatic compoundfuropyrancoumarinangular furanocoumarinoxacycleorganic oxygen compoundpyrananisolecoumestanhydrocarbon derivativebenzenoidorganooxygen compound |
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