| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:41:07 UTC |
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| Update Date | 2025-03-21 17:58:57 UTC |
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| HMDB ID | HMDB0253625 |
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| Metabolite Identification |
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| DeepMet ID | DMID00017814 |
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| Name | Isocoumarin |
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| Frequency | 235.1 |
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| Structure | |
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| Chemical Formula | C9H6O2 |
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| Molecular Mass | 146.0368 |
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| SMILES | O=c1occc2ccccc12 |
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| InChI Key | IQZZFVDIZRWADY-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 | isocoumarins and derivatives |
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| Subclass | isocoumarins and derivatives |
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| Direct Parent | isocoumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyranheteroaromatic compoundisocoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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