| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:41 UTC |
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| Update Date | 2025-03-21 18:41:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135609 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C15H12O5 |
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| Molecular Mass | 272.0685 |
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| SMILES | O=C1CC(c2ccc(O)cc2)c2c(O)cc(O)cc2O1 |
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| InChI Key | YFBYVGLTPVOMJI-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 | neoflavonoids |
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| Subclass | neoflavans |
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| Direct Parent | neoflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3,4-dihydrocoumarinsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | neoflavanmonocyclic benzene moietycarbonyl groupbenzopyran1-benzopyran3,4-dihydrocoumarin1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterchromanephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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