| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:38:42 UTC |
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| Update Date | 2025-03-21 17:58:09 UTC |
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| HMDB ID | HMDB0249566 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012494 |
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| Name | Calycosin |
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| Frequency | 363.5 |
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| Structure | |
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| Chemical Formula | C16H12O5 |
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| Molecular Mass | 284.0685 |
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| SMILES | COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O |
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| InChI Key | ZZAJQOPSWWVMBI-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 | o-methylated isoflavonoids |
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| Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonesisoflavonoidsmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundisoflavonebenzopyran3'-hydroxy,4'-methoxyisoflavonoidheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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