| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:33 UTC |
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| Update Date | 2025-03-21 18:05:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058727 |
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| Frequency | 53.7 |
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| Structure | |
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| Chemical Formula | C15H12O4 |
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| Molecular Mass | 256.0736 |
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| SMILES | O=C1Oc2cc(O)ccc2CC1c1ccc(O)cc1 |
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| InChI Key | XHOIEEFBQGYGRQ-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 | 3-arylcoumarin flavonoids |
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| Direct Parent | 3-arylcoumarin flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3,4-dihydrocoumarinsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesisoflavanslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarbonyl group1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundisoflavanbenzopyran3,4-dihydrocoumarinoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoid3-arylcoumarin flavonoidorganooxygen compound |
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