| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:04:32 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | HMDB0128616 |
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| Metabolite Identification |
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| DeepMet ID | DMID00073045 |
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| Name | 1-oxo-1H-isochromene-3-carboxylic acid |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C10H6O4 |
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| Molecular Mass | 190.0266 |
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| SMILES | O=C(O)c1cc2ccccc2c(=O)o1 |
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| InChI Key | CRPAMTZHVXHTKH-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-benzopyransbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
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| Substituents | benzopyrancarboxylic acidheteroaromatic compoundisocoumarincarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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