| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:51 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219514 |
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| Frequency | 0.5 |
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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 | COc1cc(-c2cc(O)c3ccc(=O)oc3c2)ccc1O |
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| InChI Key | MHFFLJVOYWRKBQ-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 | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzenecoumarinoxacycleorganic oxygen compoundpyrananisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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