| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:18 UTC |
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| Update Date | 2025-03-21 17:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009178 |
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| Frequency | 527.6 |
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| Structure | |
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| Chemical Formula | C14H10O4 |
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| Molecular Mass | 242.0579 |
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| SMILES | COc1ccc2c(c1)c(=O)oc1cc(O)ccc12 |
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| InChI Key | IGJLBTGXYKPECW-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 benzenoids2-benzopyransalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
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| Substituents | phenol etherbenzopyranether1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisole2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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