| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:48:52 UTC |
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| Update Date | 2025-03-21 18:01:59 UTC |
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| HMDB ID | HMDB0250498 |
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| Metabolite Identification |
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| DeepMet ID | DMID00035799 |
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| Name | Coumestan |
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| Frequency | 99.3 |
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| Structure | |
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| Chemical Formula | C15H8O3 |
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| Molecular Mass | 236.0473 |
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| SMILES | O=c1oc2ccccc2c2oc3ccccc3c12 |
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| InChI Key | JBIZUYWOIKFETJ-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-benzopyransangular furanocoumarinsbenzenoidsbenzofuransfuransfuropyransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | furanfuranocoumarinbenzopyranbenzofuran1-benzopyranheteroaromatic compoundfuropyrancoumarinangular furanocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonecoumestanhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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